1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol

C19H22OS — CID 10957502

IUPAC1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol
SMILESOC1([C@@H](Sc2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C19H22OS/c20-19(14-8-3-9-15-19)18(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2/t18-/m0/s1
InChIKeyUVXDYCNVPGROBO-SFHVURJKSA-N
MW298.45 g/mol
LogP5.22
Rot. Bonds4

About 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol

1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol (PubChem CID 10957502) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol
PubChem CID10957502
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol
SMILESOC1([C@@H](Sc2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C19H22OS/c20-19(14-8-3-9-15-19)18(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2/t18-/m0/s1
InChIKeyUVXDYCNVPGROBO-SFHVURJKSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(1-Hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
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CID 11264720
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
2-[(4-Fluorophenyl)sulfanyl]-1,1-diphenyl-1-ethanol
CID 2765147
2-(Benzenesulfonyl)-2-fluoro-1,1-diphenylethanol
CID 13460269
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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol (CID 10957502) is 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol is OC1([C@@H](Sc2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol?
The InChIKey is UVXDYCNVPGROBO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22OS/c20-19(14-8-3-9-15-19)18(16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13,18,20H,3,8-9,14-15H2/t18-/m0/s1.
What are the key properties of 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol?
1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol has a molecular weight of 298.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-phenyl(phenylsulfanyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 10957502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).