2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol

C16H23ClOS — CID 66153922

IUPAC2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol
SMILESCCC1CCCC(C(O)CSc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClOS/c1-2-12-6-5-7-13(10-12)15(18)11-19-16-9-4-3-8-14(16)17/h3-4,8-9,12-13,15,18H,2,5-7,10-11H2,1H3
InChIKeyGNZVHXXCNMAEPS-UHFFFAOYSA-N
MW298.88 g/mol
LogP5.01
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol (PubChem CID 66153922) has the molecular formula C16H23ClOS and a molecular weight of 298.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol
PubChem CID66153922
Molecular FormulaC16H23ClOS
Molecular Weight298.88 g/mol
Exact Mass298.12
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol
SMILESCCC1CCCC(C(O)CSc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClOS/c1-2-12-6-5-7-13(10-12)15(18)11-19-16-9-4-3-8-14(16)17/h3-4,8-9,12-13,15,18H,2,5-7,10-11H2,1H3
InChIKeyGNZVHXXCNMAEPS-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726
1-(4-tert-butylcyclohexyl)-2-(2-chlorophenyl)sulfanylethanol
CID 66153723
2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
CID 66154112
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
[(2-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105211066
2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol
CID 80636553
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
CID 116732119
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol (CID 66153922) is 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol is CCC1CCCC(C(O)CSc2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol?
The InChIKey is GNZVHXXCNMAEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClOS/c1-2-12-6-5-7-13(10-12)15(18)11-19-16-9-4-3-8-14(16)17/h3-4,8-9,12-13,15,18H,2,5-7,10-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol has a molecular weight of 298.88 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol is sourced from PubChem (CID 66153922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).