1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol

C17H19ClOS — CID 106867406

IUPAC1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClOS/c1-12-4-7-16(8-5-12)20-11-15(19)10-14-6-3-13(2)9-17(14)18/h3-9,15,19H,10-11H2,1-2H3
InChIKeyAKVSLQOIUNQJNQ-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.65
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol

1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 106867406) has the molecular formula C17H19ClOS and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID106867406
Molecular FormulaC17H19ClOS
Molecular Weight306.86 g/mol
Exact Mass306.08
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClOS/c1-12-4-7-16(8-5-12)20-11-15(19)10-14-6-3-13(2)9-17(14)18/h3-9,15,19H,10-11H2,1-2H3
InChIKeyAKVSLQOIUNQJNQ-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-chloro-4-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65142299
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 106867406) is 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(O)Cc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is AKVSLQOIUNQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClOS/c1-12-4-7-16(8-5-12)20-11-15(19)10-14-6-3-13(2)9-17(14)18/h3-9,15,19H,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 306.86 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 106867406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).