3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol

C21H25ClOS — CID 142229088

IUPAC3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol
SMILESOC(CCSc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H25ClOS/c22-19-10-12-20(13-11-19)24-15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,21,23H,1-5,14-15H2
InChIKeyMVGJNQSZUAVPES-UHFFFAOYSA-N
MW360.95 g/mol
LogP6.60
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol

3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol (PubChem CID 142229088) has the molecular formula C21H25ClOS and a molecular weight of 360.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol
PubChem CID142229088
Molecular FormulaC21H25ClOS
Molecular Weight360.95 g/mol
Exact Mass360.13
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol
SMILESOC(CCSc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C21H25ClOS/c22-19-10-12-20(13-11-19)24-15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,21,23H,1-5,14-15H2
InChIKeyMVGJNQSZUAVPES-UHFFFAOYSA-N
XLogP6.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.95
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82114264
1-(4-cyclopentylphenyl)hexan-1-ol
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6-(4-cycloheptylphenyl)-N,6-dihydroxyhexanamide
CID 23503080
1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
CID 116505724
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
1-(4-chlorophenyl)-2-(cycloheptylamino)ethanol
CID 60724687
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CID 116505751

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol (CID 142229088) is 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol is OC(CCSc1ccc(Cl)cc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol?
The InChIKey is MVGJNQSZUAVPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClOS/c22-19-10-12-20(13-11-19)24-15-14-21(23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,21,23H,1-5,14-15H2.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol?
3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol has a molecular weight of 360.95 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-(4-cyclohexylphenyl)propan-1-ol is sourced from PubChem (CID 142229088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).