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

C14H17ClOS — CID 55223975

IUPAC1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(SC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyZXNVHCWIQUZKQW-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.97
Rot. Bonds3

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

1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone (PubChem CID 55223975) has the molecular formula C14H17ClOS and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
PubChem CID55223975
Molecular FormulaC14H17ClOS
Molecular Weight268.81 g/mol
Exact Mass268.07
IUPAC Name1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(SC2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H17ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3
InChIKeyZXNVHCWIQUZKQW-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
CID 63114858
ethyl 2-(3-chloro-4-cyclopentylsulfanylphenyl)-2-oxoacetate
CID 67191294
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
1-(4-cyclohexylsulfanylphenyl)ethanone
CID 60885973
3-chloro-4-cyclohexylsulfanylbenzaldehyde
CID 81159217
trans-(1S,2S)-2-(3-chloro-4-cyclopropylsulfanylbenzoyl)cyclopropane-1-carboxylic acid
CID 71767948
3-chloro-4-cyclohexylsulfanylbenzonitrile
CID 63538450
3-bromo-4-cyclohexylsulfanylbenzoic acid
CID 82802072
3-amino-4-cyclohexylsulfanylbenzamide
CID 54945547
(2-chlorophenyl)sulfanylcyclooctane
CID 122214849
1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117454686
(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
CID 67188777

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone (CID 55223975) is 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone is CC(=O)c1ccc(SC2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone?
The InChIKey is ZXNVHCWIQUZKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClOS/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone?
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone has a molecular weight of 268.81 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone is sourced from PubChem (CID 55223975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).