1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone

C13H12Cl2O — CID 103448039

IUPAC1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1=CCCC1
InChIInChI=1S/C13H12Cl2O/c14-11-6-5-10(12(15)8-11)7-13(16)9-3-1-2-4-9/h3,5-6,8H,1-2,4,7H2
InChIKeyXBRUHMQKPNVKPS-UHFFFAOYSA-N
MW255.14 g/mol
LogP4.22
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone

1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 103448039) has the molecular formula C13H12Cl2O and a molecular weight of 255.14 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID103448039
Molecular FormulaC13H12Cl2O
Molecular Weight255.14 g/mol
Exact Mass254.03
IUPAC Name1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1=CCCC1
InChIInChI=1S/C13H12Cl2O/c14-11-6-5-10(12(15)8-11)7-13(16)9-3-1-2-4-9/h3,5-6,8H,1-2,4,7H2
InChIKeyXBRUHMQKPNVKPS-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
CID 106867186
2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448194
2-(2-chloro-5-fluorophenyl)-1-(cyclohexen-1-yl)ethanone
CID 103449893
2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114967197
2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone
CID 103447988
(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
CID 62079364
2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450420
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
2-(2-bromo-5-methoxyphenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448107
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033075
2-(2,4-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554308

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone (CID 103448039) is 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is XBRUHMQKPNVKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2O/c14-11-6-5-10(12(15)8-11)7-13(16)9-3-1-2-4-9/h3,5-6,8H,1-2,4,7H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone?
1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone has a molecular weight of 255.14 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 103448039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).