1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one

C11H12Br2O — CID 107944461

IUPAC1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2O/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3
InChIKeyRJSOVNSETATKGV-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.44
Rot. Bonds1

About 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one

1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one (PubChem CID 107944461) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
PubChem CID107944461
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2O/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3
InChIKeyRJSOVNSETATKGV-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dibromophenyl)-2,2-dimethylpropan-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

2,4-dibromobenzoic acid
CID 11896
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
2,4-dibromo-N-methylbenzamide
CID 54214948
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
2,4-dibromo-N-(1-bromo-2-methylpropan-2-yl)-N-methylbenzamide
CID 107941385
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one (CID 107944461) is 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one?
The InChIKey is RJSOVNSETATKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3.
What are the key properties of 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one?
1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one has a molecular weight of 320.02 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 107944461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).