Molecule ID: 3014143

IUPAC Name: 3-propylbenzene-1,2-diol

Description: The molecule is a member of the class of catechols that is catechol which is substituted by a propyl group at position 3. It is a chemical component in tobacco. It has a role as a bacterial xenobiotic metabolite.

SMILES: CCCc1cccc(O)c1O

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

InChI: InChI=1S/C9H12O2/c1-2-4-7-5-3-6-8(10)9(7)11/h3,5-6,10-11H,2,4H2,1H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 2.6