2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone

C11H12Br2O — CID 137347192

IUPAC2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cc(Br)cc(C(=O)CBr)c1
InChIInChI=1S/C11H12Br2O/c1-7(2)8-3-9(11(14)6-12)5-10(13)4-8/h3-5,7H,6H2,1-2H3
InChIKeySONQIZNIQJMNBK-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.15
Rot. Bonds3

About 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone

2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone (PubChem CID 137347192) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone
PubChem CID137347192
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone
SMILESCC(C)c1cc(Br)cc(C(=O)CBr)c1
InChIInChI=1S/C11H12Br2O/c1-7(2)8-3-9(11(14)6-12)5-10(13)4-8/h3-5,7H,6H2,1-2H3
InChIKeySONQIZNIQJMNBK-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.15
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

3-bromo-5-propan-2-ylbenzoyl chloride;1,3-dibromo-5-propan-2-ylbenzene
CID 160659655
2-bromo-1-(3-bromo-5-iodophenyl)ethanone
CID 118815509
(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
CID 164895388
2-[3-bromo-5-(3-bromopropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656150
1-(3,5-dibromophenyl)-3-methylhexan-1-one
CID 107976668
3-(3-bromo-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117481908
3,5-di(propan-2-yl)benzoic acid
CID 11958988
2-amino-1-(3-fluoro-5-propan-2-ylphenyl)ethanone
CID 84773566
1-bromo-3-(2,2-dibromoethenyl)-5-propan-2-ylbenzene
CID 137346881
N,N-diethyl-3,5-di(propan-2-yl)benzamide
CID 71210847
2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
CID 82124816
1-(3-bromo-5-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 84812607

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone (CID 137347192) is 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone is CC(C)c1cc(Br)cc(C(=O)CBr)c1.
What is the InChIKey of 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone?
The InChIKey is SONQIZNIQJMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c1-7(2)8-3-9(11(14)6-12)5-10(13)4-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone?
2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone has a molecular weight of 320.02 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-bromo-5-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 137347192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).