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

C12H11Br2ClO — CID 81274630

IUPAC2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C12H11Br2ClO/c13-10-6-9(15)4-3-8(10)5-11(14)12(16)7-1-2-7/h3-4,6-7,11H,1-2,5H2
InChIKeyQXZWOJMCJGDYIY-UHFFFAOYSA-N
MW366.48 g/mol
LogP4.39
Rot. Bonds4

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

2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one (PubChem CID 81274630) has the molecular formula C12H11Br2ClO and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
PubChem CID81274630
Molecular FormulaC12H11Br2ClO
Molecular Weight366.48 g/mol
Exact Mass363.89
IUPAC Name2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
SMILESO=C(C(Br)Cc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C12H11Br2ClO/c13-10-6-9(15)4-3-8(10)5-11(14)12(16)7-1-2-7/h3-4,6-7,11H,1-2,5H2
InChIKeyQXZWOJMCJGDYIY-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-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

Related Compounds

2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
CID 162682216
2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
CID 62394988
2-bromo-3-(2-chloro-5-methylphenyl)-1-cyclopropylpropan-1-one
CID 107627439
2-bromo-3-(2-bromo-4,6-difluorophenyl)-1-cyclopropylpropan-1-one
CID 62395713
1-(2-bromo-4-chlorophenyl)-3-methylbutan-2-amine
CID 115347459
(2R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 119914283
2-[(2-bromo-4-chlorophenyl)methylamino]-1-cyclopropylethanol
CID 81499030
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
(E)-1-(2-bromo-4-chlorophenyl)pent-3-en-2-one
CID 56930692
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-bromo-4-chlorophenyl)ethanone
CID 125147046

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one?
The IUPAC name of 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one (CID 81274630) is 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one is O=C(C(Br)Cc1ccc(Cl)cc1Br)C1CC1.
What is the InChIKey of 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one?
The InChIKey is QXZWOJMCJGDYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2ClO/c13-10-6-9(15)4-3-8(10)5-11(14)12(16)7-1-2-7/h3-4,6-7,11H,1-2,5H2.
What are the key properties of 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one?
2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one has a molecular weight of 366.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 81274630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).