1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol

C16H24O2S — CID 15445548

IUPAC1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol
SMILESCC(C)(O)C(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H24O2S/c1-15(2,17)14(16(18)11-7-4-8-12-16)19-13-9-5-3-6-10-13/h3,5-6,9-10,14,17-18H,4,7-8,11-12H2,1-2H3
InChIKeyUWXRVZLPPMKCPY-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.61
Rot. Bonds4

About 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol

1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol (PubChem CID 15445548) has the molecular formula C16H24O2S and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol
PubChem CID15445548
Molecular FormulaC16H24O2S
Molecular Weight280.43 g/mol
Exact Mass280.15
IUPAC Name1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol
SMILESCC(C)(O)C(Sc1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H24O2S/c1-15(2,17)14(16(18)11-7-4-8-12-16)19-13-9-5-3-6-10-13/h3,5-6,9-10,14,17-18H,4,7-8,11-12H2,1-2H3
InChIKeyUWXRVZLPPMKCPY-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclohexyl)-phenylsulfanylmethyl]cyclohexan-1-ol
CID 15445550
1-(1-phenylsulfanyl-3-trimethylsilylprop-2-ynyl)cyclohexan-1-ol
CID 102170699
(2S)-3-hydroxy-3-methyl-2-phenylsulfanylbutanoic acid
CID 124639034
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
4-[4,6-bis(3-hydroxy-3-methyl-2-phenylsulfanylbutyl)-1,3,5-triazin-2-yl]-2-methyl-3-phenylsulfanylbutan-2-ol
CID 11843361
2-(1-phenylcyclopentyl)propan-2-ol
CID 131445043
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
CID 69006898
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
1-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 13448038
ethane;1-phenylcyclohexan-1-ol
CID 144640846
1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol
CID 3718720

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol (CID 15445548) is 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol is CC(C)(O)C(Sc1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol?
The InChIKey is UWXRVZLPPMKCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2S/c1-15(2,17)14(16(18)11-7-4-8-12-16)19-13-9-5-3-6-10-13/h3,5-6,9-10,14,17-18H,4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol?
1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol has a molecular weight of 280.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methyl-1-phenylsulfanylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 15445548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).