1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol

C16H17ClOS — CID 66145326

IUPAC1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClOS/c1-12-2-4-13(5-3-12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9,15,18H,10-11H2,1H3
InChIKeyQFXYYZMKWQVSOP-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.34
Rot. Bonds5

About 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol

1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol (PubChem CID 66145326) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
PubChem CID66145326
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H17ClOS/c1-12-2-4-13(5-3-12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9,15,18H,10-11H2,1H3
InChIKeyQFXYYZMKWQVSOP-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
2-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60798981
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol (CID 66145326) is 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol?
The InChIKey is QFXYYZMKWQVSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c1-12-2-4-13(5-3-12)10-15(18)11-19-16-8-6-14(17)7-9-16/h2-9,15,18H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol?
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol has a molecular weight of 292.83 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 66145326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).