chempirical

2′,4′-Dihydroxypropiophenone

C9H10O3CAS 5792-36-9166.18 g/mol

Open in Covalent MOL file
OOHHO
KetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
99 °C
Boiling point
152–154 °C (at 0.8 Torr)
logP
1.69Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
5792-36-9
SMILES
CCC(=O)c1ccc(O)cc1O
InChIKey
LLBBBYLDTDJMNU-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-8(11)7-4-3-6(10)5-9(7)12/h3-5,10,12H,2H2,1H3

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

Names and synonyms

7 names
  • 1-Propanone, 1-(2,4-dihydroxyphenyl)-
  • Propiophenone, 2′,4′-dihydroxy-
  • 1-(2,4-Dihydroxyphenyl)-1-propanone
  • Resopropiophenone
  • 4-Propionylresorcinol
  • Respropiophenone
  • NSC 34096

Work with 2′,4′-Dihydroxypropiophenone

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′,5′-Dihydroxypropiophenone938-46-576 % similar Flopropione2295-58-162 % similar 2,4-Dihydroxyphenyl benzyl ketone3669-41-861 % similar 2,2′,4,4′-Tetrahydroxybenzophenone131-55-558 % similar 2′,4′-Dihydroxyacetophenone89-84-957 % similar 4′-Hydroxypropiophenone70-70-256 % similar 2,4-Dihydroxybenzoic acid89-86-154 % similar 3′-Hydroxypropiophenone13103-80-554 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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