Summary

IMPPAT Phytochemical identifier: IMPHY013858

Phytochemical name: 2-(4-Hydroxyphenyl)propanoic acid

Synonymous chemical names:
2-(4-hydroxyphenyl)propionic acid

External chemical identifiers:
CID:102526, ChEMBL:CHEMBL188281, ChEBI:1868, FDASRS:55FH3476SI, SureChEMBL:SCHEMBL288003, MolPort-004-946-886

---

Chemical structure information

SMILES:
OC(=O)C(c1ccc(cc1)O)C

InChI:
InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)

InChIKey:
ZHMMPVANGNPCBW-UHFFFAOYSA-N

DeepSMILES:
OC=O)Ccccccc6))O)))))C

Functional groups:
CC(=O)O, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Phenylpropanoic acids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.547

---

Chemical structure download