2-(4-bromo-3-chlorophenyl)cyclopentan-1-one

C11H10BrClO — CID 130040614

IUPAC2-(4-bromo-3-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClO/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8H,1-3H2
InChIKeyYQLMNFNUDBDOSA-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.94
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one

2-(4-bromo-3-chlorophenyl)cyclopentan-1-one (PubChem CID 130040614) has the molecular formula C11H10BrClO and a molecular weight of 273.56 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)cyclopentan-1-one
PubChem CID130040614
Molecular FormulaC11H10BrClO
Molecular Weight273.56 g/mol
Exact Mass271.96
IUPAC Name2-(4-bromo-3-chlorophenyl)cyclopentan-1-one
SMILESO=C1CCCC1c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H10BrClO/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8H,1-3H2
InChIKeyYQLMNFNUDBDOSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one (CID 130040614) is 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one is O=C1CCCC1c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one?
The InChIKey is YQLMNFNUDBDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO/c12-9-5-4-7(6-10(9)13)8-2-1-3-11(8)14/h4-6,8H,1-3H2.
What are the key properties of 2-(4-bromo-3-chlorophenyl)cyclopentan-1-one?
2-(4-bromo-3-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-(4-bromo-3-chlorophenyl)cyclopentan-1-one is sourced from PubChem (CID 130040614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).