2-(2,4-dichlorophenyl)cyclopentan-1-one

C11H10Cl2O — CID 130164346

IUPAC2-(2,4-dichlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O/c12-7-4-5-8(10(13)6-7)9-2-1-3-11(9)14/h4-6,9H,1-3H2
InChIKeyIQDXDYWGVSDVBQ-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.83
Rot. Bonds1

About 2-(2,4-dichlorophenyl)cyclopentan-1-one

2-(2,4-dichlorophenyl)cyclopentan-1-one (PubChem CID 130164346) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)cyclopentan-1-one
PubChem CID130164346
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Name2-(2,4-dichlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O/c12-7-4-5-8(10(13)6-7)9-2-1-3-11(9)14/h4-6,9H,1-3H2
InChIKeyIQDXDYWGVSDVBQ-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)cyclopentan-1-one?
The IUPAC name of 2-(2,4-dichlorophenyl)cyclopentan-1-one (CID 130164346) is 2-(2,4-dichlorophenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)cyclopentan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)cyclopentan-1-one is O=C1CCCC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)cyclopentan-1-one?
The InChIKey is IQDXDYWGVSDVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O/c12-7-4-5-8(10(13)6-7)9-2-1-3-11(9)14/h4-6,9H,1-3H2.
What are the key properties of 2-(2,4-dichlorophenyl)cyclopentan-1-one?
2-(2,4-dichlorophenyl)cyclopentan-1-one has a molecular weight of 229.11 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)cyclopentan-1-one is sourced from PubChem (CID 130164346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).