3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one

C14H14Cl2O2 — CID 146458835

IUPAC3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one
SMILESO=C1CCC(CC(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H14Cl2O2/c15-13-4-2-10(8-14(13)16)7-12(18)6-9-1-3-11(17)5-9/h2,4,8-9H,1,3,5-7H2
InChIKeyDWWLBTYSGYZJQI-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.86
Rot. Bonds4

About 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one

3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one (PubChem CID 146458835) has the molecular formula C14H14Cl2O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one
PubChem CID146458835
Molecular FormulaC14H14Cl2O2
Molecular Weight285.17 g/mol
Exact Mass284.04
IUPAC Name3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one
SMILESO=C1CCC(CC(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H14Cl2O2/c15-13-4-2-10(8-14(13)16)7-12(18)6-9-1-3-11(17)5-9/h2,4,8-9H,1,3,5-7H2
InChIKeyDWWLBTYSGYZJQI-UHFFFAOYSA-N
XLogP3.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-3-(oxan-4-yl)propan-2-one
CID 62622306
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 10848723
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
2-(3,4-dichlorophenyl)-N-[(1S)-2-oxocyclopentyl]acetamide
CID 130333464
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 103039496
2-(3,4-dichlorophenyl)-N-(4-methoxycyclohexyl)acetamide
CID 163319563

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one?
The IUPAC name of 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one (CID 146458835) is 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one.
What is the SMILES notation for 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one?
The canonical SMILES for 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one is O=C1CCC(CC(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one?
The InChIKey is DWWLBTYSGYZJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2/c15-13-4-2-10(8-14(13)16)7-12(18)6-9-1-3-11(17)5-9/h2,4,8-9H,1,3,5-7H2.
What are the key properties of 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one?
3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one has a molecular weight of 285.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dichlorophenyl)-2-oxopropyl]cyclopentan-1-one is sourced from PubChem (CID 146458835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).