chempirical

2',3'-Dihydroxyacetophenone

C8H8O3CAS 28631-86-9152.15 g/mol

Open in Covalent MOL file
OOHHO
KetonePhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
logP
1.30Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
28631-86-9
SMILES
CC(=O)C1=C(C(=CC=C1)O)O
InChIKey
HEJLFBLJYFSKCE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Ethanone, 1-phenyl-, dihydroxy deriv.
  • Acetophenone, dihydroxy-

Work with 2',3'-Dihydroxyacetophenone

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

Gallacetophenone528-21-270 % similar 2'-Hydroxyacetophenone104809-67-869 % similar 2′-Hydroxyacetophenone118-93-469 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-168 % similar 2′-Amino-3′-hydroxyacetophenone4502-10-764 % similar 1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-364 % similar 3-Amino-2-hydroxyacetophenone70977-72-964 % similar 2′,6′-Dihydroxyacetophenone699-83-260 % similar

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

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8

Elsewhere

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