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

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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).