Molecule ID: 616765

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

Description: The molecule is a member of the class of triazoles that is 2,2-dimethylpentane that is substituted at positions 2, 3, and 5 by hydroxy, 1,2,4-triazol-1-yl, and p-chlorophenyl groups, respectively. It is a member of triazoles, a member of monochlorobenzenes and a secondary alcohol.

SMILES: CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1

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

InChI: InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 50.9 Ų
- LogP: 3.2