2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone

C14H9BrCl2O — CID 87217528

IUPAC2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(Br)c1ccccc1
InChIInChI=1S/C14H9BrCl2O/c15-13(9-4-2-1-3-5-9)14(18)11-7-6-10(16)8-12(11)17/h1-8,13H
InChIKeyUVPGKSLRCKNKAN-UHFFFAOYSA-N
MW344.04 g/mol
LogP5.31
Rot. Bonds3

About 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone

2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone (PubChem CID 87217528) has the molecular formula C14H9BrCl2O and a molecular weight of 344.04 g/mol. Its IUPAC name is 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
PubChem CID87217528
Molecular FormulaC14H9BrCl2O
Molecular Weight344.04 g/mol
Exact Mass341.92
IUPAC Name2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(Br)c1ccccc1
InChIInChI=1S/C14H9BrCl2O/c15-13(9-4-2-1-3-5-9)14(18)11-7-6-10(16)8-12(11)17/h1-8,13H
InChIKeyUVPGKSLRCKNKAN-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.04
LogP ≤ 55.31
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-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 143364399
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
2-bromo-1-(2-chlorophenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 11246306
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
2-bromo-2-(2,6-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574488
2-bromo-2-(3-chlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 20574469
2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
CID 64637609
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone?
The IUPAC name of 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone (CID 87217528) is 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone.
What is the SMILES notation for 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone?
The canonical SMILES for 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone is O=C(c1ccc(Cl)cc1Cl)C(Br)c1ccccc1.
What is the InChIKey of 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone?
The InChIKey is UVPGKSLRCKNKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O/c15-13(9-4-2-1-3-5-9)14(18)11-7-6-10(16)8-12(11)17/h1-8,13H.
What are the key properties of 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone?
2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone has a molecular weight of 344.04 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone is sourced from PubChem (CID 87217528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).