Molecule ID: 12835430

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

Description: The molecule is an acetate ester obtained via formal condensation of the allylic hydroxy function of coniferol with acetic acid. It is an acetate ester, a coniferyl ester and a member of phenols. It derives from a coniferol.

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

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

InChI: InChI=1S/C12H14O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h3-6,8,14H,7H2,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.0