2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone

C15H12BrClO — CID 143364399

IUPAC2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(Br)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H12BrClO/c1-10-6-8-11(9-7-10)14(16)15(18)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKeyUBARFQFPCQARKJ-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.97
Rot. Bonds3

About 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone

2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone (PubChem CID 143364399) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
PubChem CID143364399
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(Br)C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H12BrClO/c1-10-6-8-11(9-7-10)14(16)15(18)12-4-2-3-5-13(12)17/h2-9,14H,1H3
InChIKeyUBARFQFPCQARKJ-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-chlorophenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 11246306
2-bromo-1-(2-methoxyphenyl)-2-(4-phenylphenyl)ethanone
CID 87278557
2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 87217528
2-bromo-1-(2-chlorophenyl)-2-(2-chloropyrimidin-4-yl)ethanone
CID 164588867
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
2-aminobenzoic acid;1-methyl-4-propan-2-ylbenzene
CID 174500943
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
3-(2-chlorophenyl)-3-oxo-2-(4-propan-2-ylphenyl)propanenitrile
CID 43157209
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone (CID 143364399) is 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(C(Br)C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is UBARFQFPCQARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-10-6-8-11(9-7-10)14(16)15(18)12-4-2-3-5-13(12)17/h2-9,14H,1H3.
What are the key properties of 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone?
2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 323.62 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 143364399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).