chempirical

2-Bromo-2′,5′-dimethoxyacetophenone

C10H11BrO3CAS 1204-21-3259.10 g/mol

Open in Covalent MOL file
OOOBr
Alkyl halideEtherKetone

Properties

Molecular formula
C10H11BrO3
Molar mass
259.10 g/mol
Exact mass
257.9892 Da
Melting point
84–85 °C
logP
2.28Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
1204-21-3
SMILES
COc1ccc(OC)c(C(=O)CBr)c1
InChIKey
RGQNFYVSEWDUEI-UHFFFAOYSA-N
InChI
InChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3

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Names and synonyms

7 names
  • Ethanone, 2-bromo-1-(2,5-dimethoxyphenyl)-
  • Acetophenone, 2-bromo-2′,5′-dimethoxy-
  • 2-Bromo-1-(2,5-dimethoxyphenyl)ethanone
  • α-Bromo-2,5-dimethoxyacetophenone
  • 2,5-Dimethoxyphenacyl bromide
  • ω-Bromo-2,5-dimethoxyacetophenone
  • 2-Bromo-1-(2,5-dimethoxyphenyl)ethan-1-one

Work with 2-Bromo-2′,5′-dimethoxyacetophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-570 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-065 % similar 4-Methoxyphenacyl bromide2632-13-559 % similar 2′,5′-Dimethoxyacetophenone1201-38-358 % similar 2-Bromo-3′-methoxyacetophenone5000-65-757 % similar 2,5-Dimethoxybenzoyl chloride17918-14-856 % similar 2,5-Dimethoxybenzoic acid2785-98-056 % similar 6-Methoxy-1-indanone13623-25-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-6 Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-7

Elsewhere

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