Molecule ID: 45266883

IUPAC Name: 3,4-dimethyl-6-pentadecylbenzene-1,2-diol

Description: The molecule is catechol substituted at positions 5 and 6 (3 and 4) with methyl groups and at position 6 (3) with a pentadecyl group. It has a role as a hapten and an allergen.

SMILES: CCCCCCCCCCCCCCCc1cc(C)c(C)c(O)c1O

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

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

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 9.8