(2-chlorophenyl)-(3-methylcyclopentyl)methanone

C13H15ClO — CID 65402941

IUPAC(2-chlorophenyl)-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H15ClO/c1-9-6-7-10(8-9)13(15)11-4-2-3-5-12(11)14/h2-5,9-10H,6-8H2,1H3
InChIKeyMCQDAAVICBOQHB-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.96
Rot. Bonds2

About (2-chlorophenyl)-(3-methylcyclopentyl)methanone

(2-chlorophenyl)-(3-methylcyclopentyl)methanone (PubChem CID 65402941) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-methylcyclopentyl)methanone
PubChem CID65402941
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name(2-chlorophenyl)-(3-methylcyclopentyl)methanone
SMILESCC1CCC(C(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H15ClO/c1-9-6-7-10(8-9)13(15)11-4-2-3-5-12(11)14/h2-5,9-10H,6-8H2,1H3
InChIKeyMCQDAAVICBOQHB-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
CID 130631626
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
CID 114963326
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
(2-ethoxyphenyl)-(3-methylcyclohexyl)methanone
CID 62801545
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
(2-methoxy-5-methylphenyl)-(3-methylcyclopentyl)methanone
CID 65401520
[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-methylcyclopentyl)methanone?
The IUPAC name of (2-chlorophenyl)-(3-methylcyclopentyl)methanone (CID 65402941) is (2-chlorophenyl)-(3-methylcyclopentyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3-methylcyclopentyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3-methylcyclopentyl)methanone is CC1CCC(C(=O)c2ccccc2Cl)C1.
What is the InChIKey of (2-chlorophenyl)-(3-methylcyclopentyl)methanone?
The InChIKey is MCQDAAVICBOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c1-9-6-7-10(8-9)13(15)11-4-2-3-5-12(11)14/h2-5,9-10H,6-8H2,1H3.
What are the key properties of (2-chlorophenyl)-(3-methylcyclopentyl)methanone?
(2-chlorophenyl)-(3-methylcyclopentyl)methanone has a molecular weight of 222.72 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-methylcyclopentyl)methanone is sourced from PubChem (CID 65402941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).