2-(3-bromo-2-chlorophenyl)cyclopentan-1-one

C11H10BrClO — CID 130040874

IUPAC2-(3-bromo-2-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1cccc(Br)c1Cl
InChIInChI=1S/C11H10BrClO/c12-9-5-1-4-8(11(9)13)7-3-2-6-10(7)14/h1,4-5,7H,2-3,6H2
InChIKeyULDJDKHWOJHPLY-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.94
Rot. Bonds1

About 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one

2-(3-bromo-2-chlorophenyl)cyclopentan-1-one (PubChem CID 130040874) has the molecular formula C11H10BrClO and a molecular weight of 273.56 g/mol. Its IUPAC name is 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-bromo-2-chlorophenyl)cyclopentan-1-one
PubChem CID130040874
Molecular FormulaC11H10BrClO
Molecular Weight273.56 g/mol
Exact Mass271.96
IUPAC Name2-(3-bromo-2-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1cccc(Br)c1Cl
InChIInChI=1S/C11H10BrClO/c12-9-5-1-4-8(11(9)13)7-3-2-6-10(7)14/h1,4-5,7H,2-3,6H2
InChIKeyULDJDKHWOJHPLY-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one?
The IUPAC name of 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one (CID 130040874) is 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one?
The canonical SMILES for 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one is O=C1CCCC1c1cccc(Br)c1Cl.
What is the InChIKey of 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one?
The InChIKey is ULDJDKHWOJHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO/c12-9-5-1-4-8(11(9)13)7-3-2-6-10(7)14/h1,4-5,7H,2-3,6H2.
What are the key properties of 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one?
2-(3-bromo-2-chlorophenyl)cyclopentan-1-one has a molecular weight of 273.56 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-chlorophenyl)cyclopentan-1-one is sourced from PubChem (CID 130040874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).