Molecule ID: 6441293

IUPAC Name: [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate

Description: The molecule is a benzoate ester obtained by the formal condensation of coniferol with benzoic acid. It has a role as an antifeedant, an allelochemical and a plant metabolite. It is a benzoate ester and a member of guaiacols. It derives from a coniferol.

SMILES: COc1cc(/C=C/COC(=O)c2ccccc2)ccc1O

SELFIES: [C][O][C][=C][C][Branch1][P][/C][=C][/C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O]

InChI: InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 3.5