4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol

C17H18Cl2OS — CID 22763000

IUPAC4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCC(O)(CCc1ccc(Cl)cc1)CSc1ccccc1Cl
InChIInChI=1S/C17H18Cl2OS/c1-17(20,11-10-13-6-8-14(18)9-7-13)12-21-16-5-3-2-4-15(16)19/h2-9,20H,10-12H2,1H3
InChIKeyVUQLAXFIQPGYJH-UHFFFAOYSA-N
MW341.30 g/mol
LogP5.47
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol

4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 22763000) has the molecular formula C17H18Cl2OS and a molecular weight of 341.30 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol
PubChem CID22763000
Molecular FormulaC17H18Cl2OS
Molecular Weight341.30 g/mol
Exact Mass340.05
IUPAC Name4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCC(O)(CCc1ccc(Cl)cc1)CSc1ccccc1Cl
InChIInChI=1S/C17H18Cl2OS/c1-17(20,11-10-13-6-8-14(18)9-7-13)12-21-16-5-3-2-4-15(16)19/h2-9,20H,10-12H2,1H3
InChIKeyVUQLAXFIQPGYJH-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-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

4-(4-Chlorophenyl)sulfanyl-2,2-dimethyl-6-phenylhexan-3-ol
CID 10948057
2-[(4-Chlorophenyl)-(4-fluorophenyl)sulfanylmethyl]-5,5-dimethylcyclohexen-1-ol
CID 141342338
2-[(2-Chlorophenyl)-(2-fluorophenyl)sulfanylmethyl]-5,5-dimethylcyclohexen-1-ol
CID 141342343
1-(2-Chlorophenyl)sulfanyl-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 66153524
1-(4-Chloro-3-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 107884272
1-(4-Chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 107884273
1-(4-Chloro-3-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 107884274
1-(4-Chloro-2-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 114854757
1-(4-Chloro-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 114854761
1-(4-Chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 114854766
1,1-Bis(4-chlorophenyl)-2-[(3-methylphenyl)sulfanyl]-1-ethanol
CID 2767162
2,6-Bis(4-chlorophenyl)thian-4-ol
CID 12749537

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol (CID 22763000) is 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol is CC(O)(CCc1ccc(Cl)cc1)CSc1ccccc1Cl.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is VUQLAXFIQPGYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2OS/c1-17(20,11-10-13-6-8-14(18)9-7-13)12-21-16-5-3-2-4-15(16)19/h2-9,20H,10-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol?
4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 341.30 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-chlorophenyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 22763000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).