Molecule ID: 736186

IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

Description: The molecule is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It has a role as a metabolite, a biomarker and an antioxidant.

SMILES: COc1ccc(/C=C/C(=O)O)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][C][=C][Ring1][O][O]

InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.5