chempirical

2-Bromo-1-(3-hydroxyphenyl)ethanone

C8H7BrO2CAS 2491-37-4215.05 g/mol

Open in Covalent MOL file
OBrOH
Alkyl halideKetonePhenol

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Melting point
70–72 °C
logP
1.97Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2491-37-4
SMILES
O=C(CBr)c1cccc(O)c1
InChIKey
IEPSGFQQGKPTPM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2

Weigh it out

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

Names and synonyms

7 names
  • α-Bromo-3-hydroxyacetophenone
  • 2-Bromo-1-(3-hydroxyphenyl)ethan-1-one
  • Ethanone, 2-bromo-1-(3-hydroxyphenyl)-
  • m-Bromoacetylphenol
  • ω-Bromo-m-hydroxyacetophenone
  • 3-Hydroxyphenacyl bromide
  • 2-Bromo-3′-hydroxyacetophenone

Work with 2-Bromo-1-(3-hydroxyphenyl)ethanone

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

3′-Hydroxypropiophenone13103-80-565 % similar 2-Bromo-1-(3-chlorophenyl)ethanone41011-01-262 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-355 % similar 2-Bromo-3′-methoxyacetophenone5000-65-755 % similar 3-Hydroxybenzoic acid99-06-953 % similar 2-(Bromoacetyl)naphthalene613-54-753 % similar 3-Nitrophenacyl bromide2227-64-753 % similar 3-Hydroxyacetophenone121-71-151 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5 5-Bromo-2-methoxybenzaldehyde25016-01-7 3-Bromo-5-methoxybenzaldehyde262450-65-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook