Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.

1 – 15 of 144 results

Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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Specifications

CAS	15687-27-1
Molecular Weight (g/mol)	206.29
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

4-Isobutyl-alpha-methylphenylacetic acid, 99%, Thermo Scientific Chemicals

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

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Specifications

PubChem CID	3672
CAS	15687-27-1
Molecular Weight (g/mol)	206.29
ChEBI	CHEBI:5855
MDL Number	MFCD00010393
SMILES	CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym	ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name	2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key	HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula	C13H18O2

DL-2-Phenylpropionic acid, 98%, Thermo Scientific Chemicals

CAS: 492-37-5 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

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PubChem CID	10296
CAS	492-37-5
ChEBI	CHEBI:48526
MDL Number	MFCD00002650
SMILES	CC(C1=CC=CC=C1)C(=O)O
Synonym	2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid
IUPAC Name	2-phenylpropanoic acid
InChI Key	YPGCWEMNNLXISK-UHFFFAOYSA-N

DL-Phenylsuccinic acid, 98+%, Thermo Scientific Chemicals

CAS: 635-51-8 Molecular Formula: C₁₀H₁₀O₄ Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

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Specifications

PubChem CID	95459
CAS	635-51-8
Molecular Weight (g/mol)	194.19
MDL Number	MFCD00004256
SMILES	C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym	phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name	2-phenylbutanedioic acid
InChI Key	LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀O₄

3-(4-Methoxyphenyl)propionic acid, 98%, Thermo Scientific Chemicals

CAS: 1929-29-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002777 InChI Key: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy PubChem CID: 95750 IUPAC Name: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O

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PubChem CID	95750
CAS	1929-29-9
Molecular Weight (g/mol)	180.203
MDL Number	MFCD00002777
SMILES	COC1=CC=C(C=C1)CCC(=O)O
Synonym	3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy
IUPAC Name	3-(4-methoxyphenyl)propanoic acid
InChI Key	FIUFLISGGHNPSM-UHFFFAOYSA-N
Molecular Formula	C10H12O3

3-(3,4-Dimethoxyphenyl)propionic acid, 98%, Thermo Scientific Chemicals

CAS: 2107-70-2 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002774 InChI Key: LHHKQWQTBCTDQM-UHFFFAOYSA-N Synonym: 3-3,4-dimethoxyphenyl propionic acid,3-3,4-dimethoxyphenyl propanoic acid,3,4-dimethoxyhydrocinnamic acid,benzenepropanoic acid, 3,4-dimethoxy,3-3,4-dimethoxyphenyl-propionic acid,3-3,4-dimethoxy-phenyl-propionic acid,unii-6xo32zsp1d,6xo32zsp1d,3-3',4'-dimethoxyphenyl propanoic acid,3-3,4-dimethoxyphenyl propionicacid PubChem CID: 75019 ChEBI: CHEBI:44235 IUPAC Name: 3-(3,4-dimethoxyphenyl)propanoic acid SMILES: COC1=C(C=C(C=C1)CCC(=O)O)OC

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Specifications

PubChem CID	75019
CAS	2107-70-2
Molecular Weight (g/mol)	210.229
ChEBI	CHEBI:44235
MDL Number	MFCD00002774
SMILES	COC1=C(C=C(C=C1)CCC(=O)O)OC
Synonym	3-3,4-dimethoxyphenyl propionic acid,3-3,4-dimethoxyphenyl propanoic acid,3,4-dimethoxyhydrocinnamic acid,benzenepropanoic acid, 3,4-dimethoxy,3-3,4-dimethoxyphenyl-propionic acid,3-3,4-dimethoxy-phenyl-propionic acid,unii-6xo32zsp1d,6xo32zsp1d,3-3',4'-dimethoxyphenyl propanoic acid,3-3,4-dimethoxyphenyl propionicacid
IUPAC Name	3-(3,4-dimethoxyphenyl)propanoic acid
InChI Key	LHHKQWQTBCTDQM-UHFFFAOYSA-N
Molecular Formula	C11H14O4

3-(3,4-Dihydroxyphenyl)propionic acid, 98+%, Thermo Scientific Chemicals

CAS: 1078-61-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002776 InChI Key: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonym: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O

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Specifications

PubChem CID	348154
CAS	1078-61-1
Molecular Weight (g/mol)	182.175
ChEBI	CHEBI:48400
MDL Number	MFCD00002776
SMILES	C1=CC(=C(C=C1CCC(=O)O)O)O
Synonym	dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid
IUPAC Name	3-(3,4-dihydroxyphenyl)propanoic acid
InChI Key	DZAUWHJDUNRCTF-UHFFFAOYSA-N
Molecular Formula	C9H10O4

4-Chloro-alpha-methylphenylacetic acid, 97%, Thermo Scientific Chemicals

CAS: 938-95-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00044670 InChI Key: YOZILQVNIWNPFP-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid PubChem CID: 102525 IUPAC Name: 2-(4-chlorophenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)Cl)C(=O)O

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Specifications

PubChem CID	102525
CAS	938-95-4
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00044670
SMILES	CC(C1=CC=C(C=C1)Cl)C(=O)O
Synonym	2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid
IUPAC Name	2-(4-chlorophenyl)propanoic acid
InChI Key	YOZILQVNIWNPFP-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

3-[3-(Trifluoromethoxy)phenyl]propionic acid, 95%, Thermo Scientific™

CAS: 168833-77-0 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.174 MDL Number: MFCD01317834 InChI Key: WGEVFUNNEITJFQ-UHFFFAOYSA-N Synonym: 3-3-trifluoromethoxy phenyl propanoic acid,3-trifluoromethoxy hydrocinnamic acid,3-3'-trifluoromethoxyphenyl-propionic acid,3-trifluoromethoxy-benzenepropanoic acid,3-3-trifluoromethoxy phenyl propionic acid,benzenepropanoic acid,3-trifluoromethoxy,acmc-20anhz,intermediates-zcf02259,3-trifluoromethoxypropionic acid PubChem CID: 2777288 IUPAC Name: 3-[3-(trifluoromethoxy)phenyl]propanoic acid SMILES: C1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O

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Specifications

PubChem CID	2777288
CAS	168833-77-0
Molecular Weight (g/mol)	234.174
MDL Number	MFCD01317834
SMILES	C1=CC(=CC(=C1)OC(F)(F)F)CCC(=O)O
Synonym	3-3-trifluoromethoxy phenyl propanoic acid,3-trifluoromethoxy hydrocinnamic acid,3-3'-trifluoromethoxyphenyl-propionic acid,3-trifluoromethoxy-benzenepropanoic acid,3-3-trifluoromethoxy phenyl propionic acid,benzenepropanoic acid,3-trifluoromethoxy,acmc-20anhz,intermediates-zcf02259,3-trifluoromethoxypropionic acid
IUPAC Name	3-[3-(trifluoromethoxy)phenyl]propanoic acid
InChI Key	WGEVFUNNEITJFQ-UHFFFAOYSA-N
Molecular Formula	C10H9F3O3

2-[4-(Bromomethyl)phenyl]propionic acid, 96%, Thermo Scientific Chemicals

CAS: 111128-12-2 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD02093445 InChI Key: QQXBRVQJMKBAOZ-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid PubChem CID: 2733978 IUPAC Name: 2-[4-(bromomethyl)phenyl]propanoic acid SMILES: CC(C1=CC=C(C=C1)CBr)C(=O)O

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Specifications

PubChem CID	2733978
CAS	111128-12-2
Molecular Weight (g/mol)	243.1
MDL Number	MFCD02093445
SMILES	CC(C1=CC=C(C=C1)CBr)C(=O)O
Synonym	2-4-bromomethyl phenyl propanoic acid,2-4-bromomethyl phenyl propionic acid,2-4-bromomethyl phenylpropionic acid,2-4-bromomethyl-phenyl-propionic acid,4-bromomethyl hydratropic acid,2-4-bromomethyl phenyl propanic acid,2-p-bromomethyl phenyl propionic acid,2-4'-bromomethylphenyl propionic acid,2-4-bromomethyl phenylproplonic acid
IUPAC Name	2-[4-(bromomethyl)phenyl]propanoic acid
InChI Key	QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Molecular Formula	C10H11BrO2

(S)-3-(Boc-amino)-3-phenylpropionic acid, 95%, Thermo Scientific Chemicals

CAS: 103365-47-5 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD01860892 InChI Key: JTNQFJPZRTURSI-NSHDSACASA-N Synonym: boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid PubChem CID: 2734490 IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

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Specifications

PubChem CID	2734490
CAS	103365-47-5
Molecular Weight (g/mol)	265.309
MDL Number	MFCD01860892
SMILES	CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym	boc-s-3-amino-3-phenylpropionic acid,s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-n-boc-amino-beta-phenylalanine,s-n-boc-3-amino-3-phenylpropanoic acid,boc-d-beta-phe-oh,boc-d-beta-phenylalanine,s-boc-beta3-phenylalanine,boc-s-phenylalanine,3s-3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,s-3-boc-amino-3-phenylpropionic acid
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key	JTNQFJPZRTURSI-NSHDSACASA-N
Molecular Formula	C14H19NO4

3-(3-Fluoro-5-methylphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 1017779-56-4 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.194 MDL Number: MFCD09832369 InChI Key: SEUXGGXOPIWHGW-UHFFFAOYSA-N Synonym: 3-3-fluoro-5-methylphenyl propanoic acid,3-3-fluoro-5-methylphenyl propionic acid,3-3-fluoro-5-methylphenyl propionic acid, jrd PubChem CID: 46737683 IUPAC Name: 3-(3-fluoro-5-methylphenyl)propanoic acid SMILES: CC1=CC(=CC(=C1)F)CCC(=O)O

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Specifications

PubChem CID	46737683
CAS	1017779-56-4
Molecular Weight (g/mol)	182.194
MDL Number	MFCD09832369
SMILES	CC1=CC(=CC(=C1)F)CCC(=O)O
Synonym	3-3-fluoro-5-methylphenyl propanoic acid,3-3-fluoro-5-methylphenyl propionic acid,3-3-fluoro-5-methylphenyl propionic acid, jrd
IUPAC Name	3-(3-fluoro-5-methylphenyl)propanoic acid
InChI Key	SEUXGGXOPIWHGW-UHFFFAOYSA-N
Molecular Formula	C10H11FO2

3-(2,6-Dichlorophenyl)propionic acid, 96%, Thermo Scientific Chemicals

CAS: 51656-68-9 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD01310807 InChI Key: IDEOVPXKPDUXTP-UHFFFAOYSA-N PubChem CID: 2758192 IUPAC Name: 3-(2,6-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl

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Specifications

PubChem CID	2758192
CAS	51656-68-9
Molecular Weight (g/mol)	219.061
MDL Number	MFCD01310807
SMILES	C1=CC(=C(C(=C1)Cl)CCC(=O)O)Cl
IUPAC Name	3-(2,6-dichlorophenyl)propanoic acid
InChI Key	IDEOVPXKPDUXTP-UHFFFAOYSA-N
Molecular Formula	C9H8Cl2O2

3-(2,5-Dimethoxyphenyl)propionic acid, 96%, Thermo Scientific Chemicals

CAS: 10538-49-5 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00060325 InChI Key: JENQUCZZZGYHRW-UHFFFAOYSA-N PubChem CID: 66343 IUPAC Name: 3-(2,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(OC)C(CCC(O)=O)=C1

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Specifications

PubChem CID	66343
CAS	10538-49-5
Molecular Weight (g/mol)	210.23
MDL Number	MFCD00060325
SMILES	COC1=CC=C(OC)C(CCC(O)=O)=C1
IUPAC Name	3-(2,5-dimethoxyphenyl)propanoic acid
InChI Key	JENQUCZZZGYHRW-UHFFFAOYSA-N
Molecular Formula	C11H14O4

3-(3,4,5-Trimethoxyphenyl)propionic acid, 98%, Thermo Scientific Chemicals

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Phenylpropanoic acids

Phenylpropanoic acids

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