Molecule ID: 61253

IUPAC Name: octyl 3,4,5-trihydroxybenzoate

Description: The molecule is a gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol. It has a role as a food antioxidant, a plant metabolite and a hypoglycemic agent.

SMILES: CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1

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

InChI: InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 3.7