2-(4-chlorophenyl)cyclopentan-1-one

C11H11ClO — CID 13023806

IUPAC2-(4-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2
InChIKeyQYRJGCLTALWPLU-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.18
Rot. Bonds1

About 2-(4-chlorophenyl)cyclopentan-1-one

2-(4-chlorophenyl)cyclopentan-1-one (PubChem CID 13023806) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)cyclopentan-1-one
PubChem CID13023806
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(4-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2
InChIKeyQYRJGCLTALWPLU-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)cyclopentan-1-one?
The IUPAC name of 2-(4-chlorophenyl)cyclopentan-1-one (CID 13023806) is 2-(4-chlorophenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)cyclopentan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)cyclopentan-1-one is O=C1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)cyclopentan-1-one?
The InChIKey is QYRJGCLTALWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-9-6-4-8(5-7-9)10-2-1-3-11(10)13/h4-7,10H,1-3H2.
What are the key properties of 2-(4-chlorophenyl)cyclopentan-1-one?
2-(4-chlorophenyl)cyclopentan-1-one has a molecular weight of 194.66 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)cyclopentan-1-one is sourced from PubChem (CID 13023806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).