2-(2-phenylsulfanylethyl)cyclohexan-1-ol

C14H20OS — CID 79228950

IUPAC2-(2-phenylsulfanylethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CCSc1ccccc1
InChIInChI=1S/C14H20OS/c15-14-9-5-4-6-12(14)10-11-16-13-7-2-1-3-8-13/h1-3,7-8,12,14-15H,4-6,9-11H2
InChIKeyJEXQPSVKHYLZIG-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.72
Rot. Bonds4

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

2-(2-phenylsulfanylethyl)cyclohexan-1-ol (PubChem CID 79228950) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)cyclohexan-1-ol
PubChem CID79228950
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name2-(2-phenylsulfanylethyl)cyclohexan-1-ol
SMILESOC1CCCCC1CCSc1ccccc1
InChIInChI=1S/C14H20OS/c15-14-9-5-4-6-12(14)10-11-16-13-7-2-1-3-8-13/h1-3,7-8,12,14-15H,4-6,9-11H2
InChIKeyJEXQPSVKHYLZIG-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)cyclohexan-1-ol?
The IUPAC name of 2-(2-phenylsulfanylethyl)cyclohexan-1-ol (CID 79228950) is 2-(2-phenylsulfanylethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-phenylsulfanylethyl)cyclohexan-1-ol is OC1CCCCC1CCSc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)cyclohexan-1-ol?
The InChIKey is JEXQPSVKHYLZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c15-14-9-5-4-6-12(14)10-11-16-13-7-2-1-3-8-13/h1-3,7-8,12,14-15H,4-6,9-11H2.
What are the key properties of 2-(2-phenylsulfanylethyl)cyclohexan-1-ol?
2-(2-phenylsulfanylethyl)cyclohexan-1-ol has a molecular weight of 236.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)cyclohexan-1-ol is sourced from PubChem (CID 79228950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).