1-(2-phenylsulfanylethynyl)cyclohexan-1-ol

C14H16OS — CID 10263362

IUPAC1-(2-phenylsulfanylethynyl)cyclohexan-1-ol
SMILESOC1(C#CSc2ccccc2)CCCCC1
InChIInChI=1S/C14H16OS/c15-14(9-5-2-6-10-14)11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyTYZSXFOBWSMLCY-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.43
Rot. Bonds1

About 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol

1-(2-phenylsulfanylethynyl)cyclohexan-1-ol (PubChem CID 10263362) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-phenylsulfanylethynyl)cyclohexan-1-ol
PubChem CID10263362
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name1-(2-phenylsulfanylethynyl)cyclohexan-1-ol
SMILESOC1(C#CSc2ccccc2)CCCCC1
InChIInChI=1S/C14H16OS/c15-14(9-5-2-6-10-14)11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKeyTYZSXFOBWSMLCY-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
Cyclohexanol, 1-[1,1-bis(phenylthio)propyl]-
CID 12299362
1-(1-Phenylsulfanylethenyl)cyclopentan-1-ol
CID 15668801
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
1-[Difluoro(phenylsulfanyl)methyl]cyclohexan-1-ol
CID 11230657
2-Methyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
CID 329395
5-Phenyl-1-phenylsulfanylpent-1-yn-3-ol
CID 10400850
Cyclopentanol, 1-[2-(phenylthio)ethyl]-
CID 10878759
1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11483798

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol (CID 10263362) is 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol is OC1(C#CSc2ccccc2)CCCCC1.
What is the InChIKey of 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol?
The InChIKey is TYZSXFOBWSMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c15-14(9-5-2-6-10-14)11-12-16-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-10H2.
What are the key properties of 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol?
1-(2-phenylsulfanylethynyl)cyclohexan-1-ol has a molecular weight of 232.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 10263362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).