(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol

C19H24OS — CID 11012041

IUPAC(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
SMILESCCCC[C@@H](CO)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24OS/c1-2-3-10-17(15-20)19(16-11-6-4-7-12-16)21-18-13-8-5-9-14-18/h4-9,11-14,17,19-20H,2-3,10,15H2,1H3/t17-,19-/m0/s1
InChIKeyOYQGBQONEODPSV-HKUYNNGSSA-N
MW300.47 g/mol
LogP5.32
Rot. Bonds8

About (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol

(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol (PubChem CID 11012041) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
PubChem CID11012041
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
SMILESCCCC[C@@H](CO)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H24OS/c1-2-3-10-17(15-20)19(16-11-6-4-7-12-16)21-18-13-8-5-9-14-18/h4-9,11-14,17,19-20H,2-3,10,15H2,1H3/t17-,19-/m0/s1
InChIKeyOYQGBQONEODPSV-HKUYNNGSSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
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5-(5-Hydroxy-4-methyl-4-phenylpentylsulfanyl)-2-methyl-2-phenylpentan-1-ol
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6-(6-Hydroxy-5-methyl-5-phenylhexylsulfanyl)-2-methyl-2-phenylhexan-1-ol
CID 10201894
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
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CID 213096
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CID 361771
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CID 11264720

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
The IUPAC name of (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol (CID 11012041) is (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol.
What is the SMILES notation for (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
The canonical SMILES for (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol is CCCC[C@@H](CO)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
The InChIKey is OYQGBQONEODPSV-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H24OS/c1-2-3-10-17(15-20)19(16-11-6-4-7-12-16)21-18-13-8-5-9-14-18/h4-9,11-14,17,19-20H,2-3,10,15H2,1H3/t17-,19-/m0/s1.
What are the key properties of (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol has a molecular weight of 300.47 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol is sourced from PubChem (CID 11012041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).