2-bromo-1-(2-bromo-5-methylphenyl)ethanone

C9H8Br2O — CID 81117333

IUPAC2-bromo-1-(2-bromo-5-methylphenyl)ethanone
SMILESCc1ccc(Br)c(C(=O)CBr)c1
InChIInChI=1S/C9H8Br2O/c1-6-2-3-8(11)7(4-6)9(12)5-10/h2-4H,5H2,1H3
InChIKeyPUKVDDRWZSJDPG-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.34
Rot. Bonds2

About 2-bromo-1-(2-bromo-5-methylphenyl)ethanone

2-bromo-1-(2-bromo-5-methylphenyl)ethanone (PubChem CID 81117333) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 2-bromo-1-(2-bromo-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-bromo-5-methylphenyl)ethanone
PubChem CID81117333
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name2-bromo-1-(2-bromo-5-methylphenyl)ethanone
SMILESCc1ccc(Br)c(C(=O)CBr)c1
InChIInChI=1S/C9H8Br2O/c1-6-2-3-8(11)7(4-6)9(12)5-10/h2-4H,5H2,1H3
InChIKeyPUKVDDRWZSJDPG-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 53.34
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-5-methylbenzoic acid;ethane
CID 142935649
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
2-bromo-1-(2-bromo-4-methoxyphenyl)ethanone;2-bromo-1-(2-bromo-4-methylphenyl)ethanone
CID 22121484
methyl 2-bromo-5-methylbenzoate
CID 15110996
2-(2-bromo-5-methoxyphenyl)-1-(2-bromo-5-methylphenyl)ethanone
CID 114973586
1-(2-bromo-5-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114964013
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-bromo-5-methylphenyl)-2,3-dimethylbutan-1-one
CID 130674056
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
CID 114308205
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
1-(2-bromo-5-methylphenyl)-2-(4-nitrophenyl)ethanone
CID 81110987

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-bromo-5-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2-bromo-5-methylphenyl)ethanone (CID 81117333) is 2-bromo-1-(2-bromo-5-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-bromo-5-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2-bromo-5-methylphenyl)ethanone is Cc1ccc(Br)c(C(=O)CBr)c1.
What is the InChIKey of 2-bromo-1-(2-bromo-5-methylphenyl)ethanone?
The InChIKey is PUKVDDRWZSJDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c1-6-2-3-8(11)7(4-6)9(12)5-10/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-1-(2-bromo-5-methylphenyl)ethanone?
2-bromo-1-(2-bromo-5-methylphenyl)ethanone has a molecular weight of 291.97 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-bromo-5-methylphenyl)ethanone is sourced from PubChem (CID 81117333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).