2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone

C11H10BrClO — CID 162682216

IUPAC2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C11H10BrClO/c12-10-6-9(13)4-3-8(10)5-11(14)7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyAIEWEBBVNNPTDA-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone

2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone (PubChem CID 162682216) has the molecular formula C11H10BrClO and a molecular weight of 273.56 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
PubChem CID162682216
Molecular FormulaC11H10BrClO
Molecular Weight273.56 g/mol
Exact Mass271.96
IUPAC Name2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C11H10BrClO/c12-10-6-9(13)4-3-8(10)5-11(14)7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyAIEWEBBVNNPTDA-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-(2-bromo-4-chlorophenyl)-1-cyclopropylpropan-1-one
CID 81274630
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CID 116557220
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105088329
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
(E)-1-(2-bromo-4-chlorophenyl)pent-3-en-2-one
CID 56930692
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423303
4-(4-chloro-2-fluorophenyl)-1-cyclopropylbutan-1-one
CID 114859961
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone (CID 162682216) is 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone is O=C(Cc1ccc(Cl)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone?
The InChIKey is AIEWEBBVNNPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO/c12-10-6-9(13)4-3-8(10)5-11(14)7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone?
2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone has a molecular weight of 273.56 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 162682216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).