2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol

C16H23ClOS — CID 66154112

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClOS/c1-16(2)9-7-12(8-10-16)14(18)11-19-15-6-4-3-5-13(15)17/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyQPAZEORSNOOOFP-UHFFFAOYSA-N
MW298.88 g/mol
LogP5.01
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol (PubChem CID 66154112) has the molecular formula C16H23ClOS and a molecular weight of 298.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
PubChem CID66154112
Molecular FormulaC16H23ClOS
Molecular Weight298.88 g/mol
Exact Mass298.12
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol
SMILESCC1(C)CCC(C(O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClOS/c1-16(2)9-7-12(8-10-16)14(18)11-19-15-6-4-3-5-13(15)17/h3-6,12,14,18H,7-11H2,1-2H3
InChIKeyQPAZEORSNOOOFP-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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
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2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol
CID 66153922
2-(2-chlorophenyl)sulfanyl-1-(thiolan-2-yl)ethanol
CID 80636553
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
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CID 116732119
3-(2-chlorophenyl)sulfanyl-2-(cyclopropylamino)propan-1-ol
CID 64806375
2-(2-chlorophenyl)sulfanyl-1-(1-methoxycyclohexyl)ethanol
CID 116779685
2-(2-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82932393
2-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65389818
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
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CID 116779678

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol (CID 66154112) is 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol is CC1(C)CCC(C(O)CSc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol?
The InChIKey is QPAZEORSNOOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClOS/c1-16(2)9-7-12(8-10-16)14(18)11-19-15-6-4-3-5-13(15)17/h3-6,12,14,18H,7-11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(4,4-dimethylcyclohexyl)ethanol has a molecular weight of 298.88 g/mol, XLogP of 5.01, 4 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-(4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 66154112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).