chempirical

4-Methoxyphenacyl bromide

C9H9BrO2CAS 2632-13-5229.07 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEtherKetone

Properties

Molecular formula
C9H9BrO2
Molar mass
229.07 g/mol
Exact mass
227.9786 Da
Melting point
72–73 °C
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2632-13-5
SMILES
COc1ccc(C(=O)CBr)cc1
InChIKey
XQJAHBHCLXUGEP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all
  • Ethanone, 2-bromo-1-(4-methoxyphenyl)-
  • Acetophenone, 2-bromo-4′-methoxy-
  • 2-Bromo-1-(4-methoxyphenyl)ethanone
  • 2-Bromo-4′-methoxyacetophenone
  • p-Methoxyphenacyl bromide
  • 2-Bromo-p-methoxyacetophenone
  • 4′-Methoxy-2-bromoacetophenone
  • ω-Bromo-4′-methoxyacetophenone
  • α-Bromo-p-methoxyacetophenone
  • 4′-Methoxyphenacyl bromide
  • α-Bromo-4′-methoxyacetophenone
  • Bromomethyl p-anisyl ketone
  • 2-Bromo-1-(4-methoxyphenyl)-1-ethanone
  • 2-(4-Methoxyphenyl)-2-oxoethyl bromide
  • ω-Bromo-p-methoxyacetophenone
  • Bromomethyl p-methoxyphenyl ketone
  • α-Bromo-4-methoxyacetophenone
  • Bromomethyl 4-methoxyphenyl ketone
  • 4-Methoxy-2′-bromoacetophenone
  • NSC 129010
  • 2-Bromo-1-[4-(methyloxy)phenyl]ethanone
  • 1-(Bromoacetyl)-4-methoxybenzene
  • p-Methoxy-2-bromoacetophenone
  • 2-Bromo-(4-methoxyphenyl)ethan-1-one

Work with 4-Methoxyphenacyl bromide

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

2-Bromo-3′-methoxyacetophenone5000-65-766 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-166 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-564 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-864 % similar 2-Hydroxy-1-(4-methoxyphenyl)ethanone4136-21-464 % similar 1-(4-Methoxyphenyl)-1-butanone4160-51-462 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-760 % similar 2-Bromo-2′,5′-dimethoxyacetophenone1204-21-359 % similar

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

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook