2-bromo-1-(2,6-dimethylphenyl)ethanone

C10H11BrO — CID 14972767

IUPAC2-bromo-1-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1C(=O)CBr
InChIInChI=1S/C10H11BrO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5H,6H2,1-2H3
InChIKeyYSICJHNHYWMNBM-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.88
Rot. Bonds2

About 2-bromo-1-(2,6-dimethylphenyl)ethanone

2-bromo-1-(2,6-dimethylphenyl)ethanone (PubChem CID 14972767) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-bromo-1-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,6-dimethylphenyl)ethanone
PubChem CID14972767
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-bromo-1-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1C(=O)CBr
InChIInChI=1S/C10H11BrO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5H,6H2,1-2H3
InChIKeyYSICJHNHYWMNBM-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.88
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

1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
2-bromo-1-(2,3-diamino-6-methylphenyl)ethanone
CID 171013874
2-bromo-1-(2,3-dichloro-6-methylphenyl)ethanone
CID 130822903
2-bromo-1-(2-bromo-6-iodo-3-methylphenyl)ethanone
CID 171033506
3-bromo-1-(2-ethyl-6-methylphenyl)propan-1-one
CID 134624591
[2-(2,6-dimethylphenyl)-2-oxoethyl] acetate
CID 146006483
2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
2-bromo-1-(2,6-dimethylnaphthalen-1-yl)ethanone
CID 125472731
2-bromo-1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 171032827
3-(2-bromoacetyl)-2,6-dimethylbenzoic acid
CID 151623703
5-(2,6-dimethylphenyl)-3-methyl-5-oxopentanoic acid
CID 24727249

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(2,6-dimethylphenyl)ethanone (CID 14972767) is 2-bromo-1-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(2,6-dimethylphenyl)ethanone?
The InChIKey is YSICJHNHYWMNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-bromo-1-(2,6-dimethylphenyl)ethanone?
2-bromo-1-(2,6-dimethylphenyl)ethanone has a molecular weight of 227.10 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 14972767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).