Molecule ID: 181700

IUPAC Name: 5-heptadecylbenzene-1,3-diol

Description: The molecule is a 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran. It has a role as an antineoplastic agent and a plant metabolite.

SMILES: CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1

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

InChI: InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 10.1