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

C19H24OS — CID 11130384

IUPAC(2R)-2-[(S)-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-/m1/s1
InChIKeyOYQGBQONEODPSV-IEBWSBKVSA-N
MW300.47 g/mol
LogP5.32
Rot. Bonds8

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

(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol (PubChem CID 11130384) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
PubChem CID11130384
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name(2R)-2-[(S)-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-/m1/s1
InChIKeyOYQGBQONEODPSV-IEBWSBKVSA-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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2-phenyl-2-phenylsulfanylethanol
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(1S,2S)-N,N-dimethyl-1-phenyl-1-phenylsulfanyloct-3-yn-2-amine
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(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
pentadecan-3-ylsulfanylbenzene
CID 22237783
(2S,3S)-2-methyl-3-phenyl-3-phenylsulfanylpropanoic acid
CID 95989478
methyl 2-phenylsulfanylhexanoate
CID 12957041
2-phenylsulfanylheptanoic acid
CID 57359587
(1R,2S)-3-methoxy-1-phenyl-1-phenylsulfanylpropan-2-ol
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10-phenyltetradecan-5-ylbenzene
CID 22891787

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
The IUPAC name of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol (CID 11130384) is (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol.
What is the SMILES notation for (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
The canonical SMILES for (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol is CCCC[C@H](CO)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
The InChIKey is OYQGBQONEODPSV-IEBWSBKVSA-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-/m1/s1.
What are the key properties of (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol?
(2R)-2-[(S)-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 (2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol is sourced from PubChem (CID 11130384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).