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

C13H15ClOS — CID 63114858

IUPAC1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(SC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H15ClOS/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKeyFKBBHHJFVTXOOD-UHFFFAOYSA-N
MW254.78 g/mol
LogP4.58
Rot. Bonds3

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

1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone (PubChem CID 63114858) has the molecular formula C13H15ClOS and a molecular weight of 254.78 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
PubChem CID63114858
Molecular FormulaC13H15ClOS
Molecular Weight254.78 g/mol
Exact Mass254.05
IUPAC Name1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone
SMILESCC(=O)c1ccc(SC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H15ClOS/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChIKeyFKBBHHJFVTXOOD-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975
ethyl 2-(3-chloro-4-cyclopentylsulfanylphenyl)-2-oxoacetate
CID 67191294
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
1-(4-cyclohexylsulfanylphenyl)ethanone
CID 60885973
trans-(1S,2S)-2-(3-chloro-4-cyclopropylsulfanylbenzoyl)cyclopropane-1-carboxylic acid
CID 71767948
3-chloro-4-cyclohexylsulfanylbenzaldehyde
CID 81159217
1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117454686
(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
CID 67188777
3-chloro-4-cyclohexylsulfanylbenzonitrile
CID 63538450
3-bromo-4-cyclohexylsulfanylbenzoic acid
CID 82802072
3-amino-4-cyclohexylsulfanylbenzamide
CID 54945547
1-[3-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 55131693

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone (CID 63114858) is 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone is CC(=O)c1ccc(SC2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone?
The InChIKey is FKBBHHJFVTXOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClOS/c1-9(15)10-6-7-13(12(14)8-10)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone?
1-(3-chloro-4-cyclopentylsulfanylphenyl)ethanone has a molecular weight of 254.78 g/mol, XLogP of 4.58, 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-cyclopentylsulfanylphenyl)ethanone is sourced from PubChem (CID 63114858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).