Molecule ID: 11311691

IUPAC Name: 2,3-dihydroxypropyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Description: The molecule is an enoate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with the 1-hydroxy group of glycerol. It has a role as an ultraviolet filter, an antioxidant and a plant metabolite. It is an enoate ester, a member of phenols, an aromatic ether and a 1-monoglyceride. It derives from a ferulic acid and a glycerol.

SMILES: COc1cc(/C=C/C(=O)OCC(O)CO)ccc1O

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

InChI: InChI=1S/C13H16O6/c1-18-12-6-9(2-4-11(12)16)3-5-13(17)19-8-10(15)7-14/h2-6,10,14-16H,7-8H2,1H3/b5-3+

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 0.5