Molecule ID: 1738

IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid

Description: The molecule is a monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. It has a role as a human metabolite and a mouse metabolite. It is a member of guaiacols and a monocarboxylic acid. It derives from a (3,4-dihydroxyphenyl)acetic acid. It is a conjugate acid of a homovanillate.

SMILES: COc1cc(CC(=O)O)ccc1O

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

InChI: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 0.4