2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone

C14H15ClO — CID 106867186

IUPAC2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
SMILESCc1ccc(CC(=O)C2=CCCC2)c(Cl)c1
InChIInChI=1S/C14H15ClO/c1-10-6-7-12(13(15)8-10)9-14(16)11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3
InChIKeyDCVSAQLLPATWKM-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.87
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone

2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 106867186) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
PubChem CID106867186
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
SMILESCc1ccc(CC(=O)C2=CCCC2)c(Cl)c1
InChIInChI=1S/C14H15ClO/c1-10-6-7-12(13(15)8-10)9-14(16)11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3
InChIKeyDCVSAQLLPATWKM-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 103448039
1-(cyclopenten-1-yl)-2-(4-methylphenyl)ethanone
CID 62080493
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448194
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone
CID 103447988
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106865458
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450420
2-(2-chloro-4-methylphenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 106867191
1-(3-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865689

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone (CID 106867186) is 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone is Cc1ccc(CC(=O)C2=CCCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is DCVSAQLLPATWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c1-10-6-7-12(13(15)8-10)9-14(16)11-4-2-3-5-11/h4,6-8H,2-3,5,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 234.73 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 106867186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).