Molecule ID: 77844

IUPAC Name: 1,3-dimethoxy-5-methylbenzene

Description: The molecule is a member of the class of toluenes that is toluene in which the hydrogens at positions 3 and 5 have been replaced by methoxy groups. It is the major scent compound of many rose varieties. It has a role as a fragrance and a plant metabolite. It is a member of toluenes and a member of methoxybenzenes.

SMILES: COc1cc(C)cc(OC)c1

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

InChI: InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3

Molecular Properties:
- Polar Surface Area: 18.5 Ų
- LogP: 2.2