chempirical

1-(4-Bromo-2-hydroxyphenyl)ethan-1-one

C8H7BrO2CAS 30186-18-6215.05 g/mol

Open in Covalent MOL file
OBrHO
Aryl halideKetonePhenol

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
logP
2.36Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
30186-18-6
SMILES
CC(=O)C1=C(C=C(C=C1)Br)O
InChIKey
LQCMMXGKEGWUIM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Bromo-2-hydroxyacetophenone

Work with 1-(4-Bromo-2-hydroxyphenyl)ethan-1-one

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′,4′-Dihydroxyacetophenone89-84-969 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-062 % similar 2′-Hydroxy-4′-methylacetophenone6921-64-862 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-260 % similar 4'-Amino-2'-hydroxyacetophenone2476-29-160 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-060 % similar 4,6-Diacetylresorcinol2161-85-558 % similar Paeonol552-41-057 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 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-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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