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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.
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1 – 15 of 222 results
1

4-Isobutyl-alpha-methylphenylacetic acid, 99%

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

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
2

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 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

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
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
3

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

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

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

(+/-)-3-Phenyllactic acid, 98+%

CAS: 828-01-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00065928 InChI Key: VOXXWSYKYCBWHO-UHFFFAOYSA-N Synonym: dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid PubChem CID: 3848 ChEBI: CHEBI:25998 IUPAC Name: 2-hydroxy-3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CC(C(=O)O)O

PubChem CID 3848
CAS 828-01-3
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:25998
MDL Number MFCD00065928
SMILES C1=CC=C(C=C1)CC(C(=O)O)O
Synonym dl-3-phenyllactic acid,3-phenyllactic acid,dl-beta-phenyllactic acid,b-phenyllactic acid,2-hydroxy-3-phenyl-propionic acid,3-phenyllactate,2-hydroxy-3-phenylpropionic acid,+--3-phenyllactic acid,dl-phenyllactic acid,beta-phenyllactic acid
IUPAC Name 2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
Molecular Formula C9H10O3
5

3-(3,4-Dimethoxyphenyl)propionic acid, 98%

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

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
6

Ibuprofen, USP grade, MP Biomedicals™

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

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
7

3-(4-Chlorosulfonylphenyl)propionic acid, 99%

CAS: 63545-54-0 Molecular Formula: C9H9ClO4S Molecular Weight (g/mol): 248.68 MDL Number: MFCD02179510 InChI Key: INJMPXHPNFJMLG-UHFFFAOYSA-N Synonym: 3-4-chlorosulfonyl phenyl propanoic acid,benzenepropanoicacid, 4-chlorosulfonyl,3-4-chlorosulphonyl phenyl propanoic acid,3-4-chlorosulfonylphenyl propionic acid,3-4-chlorosulfonylphenyl propanoic acid,p-chlorosylphonyldihydrocinnamic acid,4-chlorosulfonyl benzenepropanoic acid,4-chlorosulphonyl dihydrocinnamic acid,p-chlorosulphonyldihydrocinnamic acid PubChem CID: 2757915 IUPAC Name: 3-[4-(chlorosulfonyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)S(Cl)(=O)=O

PubChem CID 2757915
CAS 63545-54-0
Molecular Weight (g/mol) 248.68
MDL Number MFCD02179510
SMILES OC(=O)CCC1=CC=C(C=C1)S(Cl)(=O)=O
Synonym 3-4-chlorosulfonyl phenyl propanoic acid,benzenepropanoicacid, 4-chlorosulfonyl,3-4-chlorosulphonyl phenyl propanoic acid,3-4-chlorosulfonylphenyl propionic acid,3-4-chlorosulfonylphenyl propanoic acid,p-chlorosylphonyldihydrocinnamic acid,4-chlorosulfonyl benzenepropanoic acid,4-chlorosulphonyl dihydrocinnamic acid,p-chlorosulphonyldihydrocinnamic acid
IUPAC Name 3-[4-(chlorosulfonyl)phenyl]propanoic acid
InChI Key INJMPXHPNFJMLG-UHFFFAOYSA-N
Molecular Formula C9H9ClO4S
8

4-(2-Carboxyethyl)benzeneboronic acid, 97%

CAS: 166316-48-9 Molecular Formula: C9H11BO4 Molecular Weight (g/mol): 193.993 MDL Number: MFCD01318119 InChI Key: VPSARXNVXCRDIV-UHFFFAOYSA-N Synonym: 3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid PubChem CID: 3863484 IUPAC Name: 3-(4-boronophenyl)propanoic acid SMILES: B(C1=CC=C(C=C1)CCC(=O)O)(O)O

PubChem CID 3863484
CAS 166316-48-9
Molecular Weight (g/mol) 193.993
MDL Number MFCD01318119
SMILES B(C1=CC=C(C=C1)CCC(=O)O)(O)O
Synonym 3-4-boronophenyl propanoic acid,4-2-carboxyethyl phenylboronic acid,4-2-carboxyethyl benzeneboronic acid,3-4-boronophenyl propionic acid,3-4-dihydroxyboranyl phenyl propanoic acid,acmc-209dty,benzenepropanoic acid,4-borono,3-4-boronophenyl-propanoic acid,4-borono-benzenepropanoic acid,4-2-carboxyethyl phenyl boronic acid
IUPAC Name 3-(4-boronophenyl)propanoic acid
InChI Key VPSARXNVXCRDIV-UHFFFAOYSA-N
Molecular Formula C9H11BO4
9

3-(Boc-amino)-3-phenylpropionic acid, 97%

CAS: 14676-01-8 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD02090695 InChI Key: JTNQFJPZRTURSI-UHFFFAOYSA-N Synonym: 3-boc-amino-3-phenylpropionic acid,3-n-boc-3-phenylpropionic acid,boc-dl-beta-phe-oh,3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,3-boc-amino-3-phenyl-propionic acid,3-tert-butoxycarbonylamino-3-phenylpropanoic acid,3-tert-butoxy carbonyl amino-3-phenylpropanoic acid,boc-d-,a-phe-oh,pubchem16181 PubChem CID: 2756815 IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1

PubChem CID 2756815
CAS 14676-01-8
Molecular Weight (g/mol) 265.309
MDL Number MFCD02090695
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1
Synonym 3-boc-amino-3-phenylpropionic acid,3-n-boc-3-phenylpropionic acid,boc-dl-beta-phe-oh,3-tert-butoxycarbonyl amino-3-phenylpropanoic acid,3-boc-amino-3-phenyl-propionic acid,3-tert-butoxycarbonylamino-3-phenylpropanoic acid,3-tert-butoxy carbonyl amino-3-phenylpropanoic acid,boc-d-,a-phe-oh,pubchem16181
IUPAC Name 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI Key JTNQFJPZRTURSI-UHFFFAOYSA-N
Molecular Formula C14H19NO4
10

3-(2-Chlorophenyl)propionic acid, 98+%

CAS: 1643-28-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016547 InChI Key: KZMDFTFGWIVSNQ-UHFFFAOYSA-N Synonym: 3-2-chlorophenyl propionic acid,3-2-chlorophenyl propanoic acid,benzenepropanoic acid, 2-chloro,2-chlorobenzenepropanoic acid,2-chloro-benzenepropanoic acid,zlchem 694,pubchem19768,acmc-209dqy,2-chlorohydrocinnamic acid,ksc494i2t PubChem CID: 95676 IUPAC Name: 3-(2-chlorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)Cl

PubChem CID 95676
CAS 1643-28-3
Molecular Weight (g/mol) 184.619
MDL Number MFCD00016547
SMILES C1=CC=C(C(=C1)CCC(=O)O)Cl
Synonym 3-2-chlorophenyl propionic acid,3-2-chlorophenyl propanoic acid,benzenepropanoic acid, 2-chloro,2-chlorobenzenepropanoic acid,2-chloro-benzenepropanoic acid,zlchem 694,pubchem19768,acmc-209dqy,2-chlorohydrocinnamic acid,ksc494i2t
IUPAC Name 3-(2-chlorophenyl)propanoic acid
InChI Key KZMDFTFGWIVSNQ-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
11

3-(3-Hydroxyphenyl)propionic acid, 98+%

CAS: 621-54-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016554 InChI Key: QVWAEZJXDYOKEH-UHFFFAOYSA-N Synonym: 3-3-hydroxyphenyl propanoic acid,3-3-hydroxyphenyl propionic acid,dihydro-3-coumaric acid,benzenepropanoic acid, 3-hydroxy,3-m-hydroxyphenyl propionic acid,3-hydroxybenzenepropanoic acid,3-hydroxyphenylpropionic acid,m-hydroxyphenylpropionic acid,beta-m-hydroxyphenyl propionic acid,hydrocinnamic acid, m-hydroxy PubChem CID: 91 ChEBI: CHEBI:1427 IUPAC Name: 3-(3-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC(=C1)O)CCC(=O)O

PubChem CID 91
CAS 621-54-5
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:1427
MDL Number MFCD00016554
SMILES C1=CC(=CC(=C1)O)CCC(=O)O
Synonym 3-3-hydroxyphenyl propanoic acid,3-3-hydroxyphenyl propionic acid,dihydro-3-coumaric acid,benzenepropanoic acid, 3-hydroxy,3-m-hydroxyphenyl propionic acid,3-hydroxybenzenepropanoic acid,3-hydroxyphenylpropionic acid,m-hydroxyphenylpropionic acid,beta-m-hydroxyphenyl propionic acid,hydrocinnamic acid, m-hydroxy
IUPAC Name 3-(3-hydroxyphenyl)propanoic acid
InChI Key QVWAEZJXDYOKEH-UHFFFAOYSA-N
Molecular Formula C9H10O3
12

alpha-Methylhydrocinnamic acid, 98%

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYNA-N Synonym: 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,# PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(O)=O

PubChem CID 99862
CAS 1009-67-2
Molecular Weight (g/mol) 164.20
MDL Number MFCD00192301
SMILES CC(CC1=CC=CC=C1)C(O)=O
Synonym 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,#
IUPAC Name 2-methyl-3-phenylpropanoic acid
InChI Key MCIIDRLDHRQKPH-UHFFFAOYNA-N
Molecular Formula C10H12O2
13

4-(Trifluoromethyl)hydrocinnamic acid, 95%

CAS: 53473-36-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.17 MDL Number: MFCD00674032 InChI Key: OEIUMLSCWINLBB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid PubChem CID: 3588736 IUPAC Name: 3-[4-(trifluoromethyl)phenyl]propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)C(F)(F)F

PubChem CID 3588736
CAS 53473-36-2
Molecular Weight (g/mol) 218.17
MDL Number MFCD00674032
SMILES C1=CC(=CC=C1CCC(=O)O)C(F)(F)F
Synonym 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid
IUPAC Name 3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI Key OEIUMLSCWINLBB-UHFFFAOYSA-N
Molecular Formula C10H9F3O2
14

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

CAS: 82547-30-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.10 MDL Number: MFCD09258907 InChI Key: RCLIOLQUIYTUPY-UHFFFAOYSA-N Synonym: 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid PubChem CID: 22685184 IUPAC Name: 3-(5-bromo-2-methoxyphenyl)propanoic acid SMILES: COC1=C(CCC(O)=O)C=C(Br)C=C1

PubChem CID 22685184
CAS 82547-30-6
Molecular Weight (g/mol) 259.10
MDL Number MFCD09258907
SMILES COC1=C(CCC(O)=O)C=C(Br)C=C1
Synonym 3-5-bromo-2-methoxyphenyl propanoic acid,benzenepropanoic acid, 5-bromo-2-methoxy,3-5-bromo-2-methoxyphenyl propionic acid,3-5-bromo-2-methoxy-phenyl-propionic acid
IUPAC Name 3-(5-bromo-2-methoxyphenyl)propanoic acid
InChI Key RCLIOLQUIYTUPY-UHFFFAOYSA-N
Molecular Formula C10H11BrO3
15

L-(-)-3-Phenyllactic acid, 98%

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

PubChem CID 444718
CAS 20312-36-1
Molecular Weight (g/mol) 165.17
ChEBI CHEBI:43065
MDL Number MFCD00004244
SMILES O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name (2S)-2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula C9H9O3