Molecule ID: 10892754

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

Description: The molecule is a cinnamate ester obtained by the formal condensation of the hydroxy of coniferol with the carboxy group of trans-4-coumaric acid. It is a cinnamate ester and a member of guaiacols. It derives from a trans-4-coumaric acid and a coniferol.

SMILES: COc1cc(/C=C/COC(=O)/C=C/c2ccc(O)cc2)ccc1O

SELFIES: [C][O][C][=C][C][Branch2][Ring1][=Branch1][/C][=C][/C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Branch1][O]

InChI: InChI=1S/C19H18O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h2-11,13,20-21H,12H2,1H3/b3-2+,11-7+

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.6