Molecule ID: 86102

IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

Description: The molecule is a tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively. It is a member of monochlorobenzenes, a member of triazoles and a tertiary alcohol.

SMILES: CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1

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

InChI: InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 50.9 Ų
- LogP: 3.7