Molecule ID: 155462

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

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

SMILES: CCCCCCCCCCCCCCCCCCCCCCCc1cc(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][C][C][C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 13.4