chempirical

2′,5′-Dihydroxypropiophenone

C9H10O3CAS 938-46-5166.18 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
96 °C
logP
1.69Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
938-46-5
SMILES
CCC(=O)c1cc(O)ccc1O
InChIKey
CFQYIIXIHXUPQT-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,10,12H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Propanone, 1-(2,5-dihydroxyphenyl)-
  • Propiophenone, 2′,5′-dihydroxy-
  • 1-(2,5-Dihydroxyphenyl)-1-propanone
  • NSC 87567

Work with 2′,5′-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′,4′-Dihydroxypropiophenone5792-36-976 % similar Flopropione2295-58-157 % similar 4′-Hydroxypropiophenone70-70-256 % similar 3′,4′-Dihydroxypropiophenone7451-98-156 % similar Gentisic acid490-79-954 % similar 3′-Hydroxypropiophenone13103-80-554 % similar Kakuol18607-90-454 % similar Methyl 2,5-dihydroxybenzoate2150-46-153 % 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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