Molecule ID: 734154

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

Description: The molecule is a member of the class of cinnamic acids that is trans-cinnamic acid carrying a methoxy substituent at position 2 on the benzene ring. It has a role as a Brassica napus metabolite and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of cinnamic acids and a monomethoxybenzene. It derives from a trans-cinnamic acid.

SMILES: COc1ccccc1/C=C/C(=O)O

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

InChI: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.8