Molecule ID: 5354677

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

Description: The molecule is a phenyl acetate obtained by the formal condensation of the phenolic group of ferulic acid with acetic acid. It is a member of cinnamic acids, a monomethoxybenzene and a member of phenyl acetates. It derives from a ferulic acid.

SMILES: COc1cc(/C=C/C(=O)O)ccc1OC(C)=O

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

InChI: InChI=1S/C12H12O5/c1-8(13)17-10-5-3-9(4-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3,(H,14,15)/b6-4+

Molecular Properties:
- Polar Surface Area: 72.8 Ų
- LogP: 1.6