1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol

C14H19ClOS — CID 63835939

IUPAC1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(SC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3
InChIKeyUBVLKSUGYIUCQM-UHFFFAOYSA-N
MW270.82 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol

1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol (PubChem CID 63835939) has the molecular formula C14H19ClOS and a molecular weight of 270.82 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
PubChem CID63835939
Molecular FormulaC14H19ClOS
Molecular Weight270.82 g/mol
Exact Mass270.08
IUPAC Name1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(SC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H19ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3
InChIKeyUBVLKSUGYIUCQM-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
CID 78951666
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975
1-[3-chloro-4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 62994844
1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
CID 63114858
(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
CID 67188777
3-chloro-4-cyclohexylsulfanylbenzonitrile
CID 63538450
3-chloro-4-cyclohexylsulfanylbenzaldehyde
CID 81159217
(2-chlorophenyl)sulfanylcyclooctane
CID 122214849
1-[3-chloro-4-(2-methylpropylsulfanyl)phenyl]ethanol
CID 63814172
3-[2-chloro-4-(1-hydroxyethyl)phenyl]sulfanylbutan-2-ol
CID 107772304
1-[3-chloro-4-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532457

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol (CID 63835939) is 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol is CC(O)c1ccc(SC2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol?
The InChIKey is UBVLKSUGYIUCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol?
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol has a molecular weight of 270.82 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol is sourced from PubChem (CID 63835939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).