Molecule ID: 446834

IUPAC Name: (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid

Description: The molecule is ferulic acid in which the ring hydrogen at position 5 is substituted by a hydroxy group. It is a hydroxycinnamic acid and a methoxycinnamic acid. It is a conjugate acid of a 5-hydroxyferulate.

SMILES: COc1cc(/C=C/C(=O)O)cc(O)c1O

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

InChI: InChI=1S/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)/b3-2+

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 1.1