chempirical

1-(3,4-Dihydroxyphenyl)-2-propanone

C9H10O3CAS 2503-44-8166.18 g/mol

Open in Covalent MOL file
OOHOH
KetonePhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
−30 °C (decomposes)
Boiling point
170–173 °C (at 0.3 Torr)
logP
1.23Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
2503-44-8
SMILES
CC(=O)Cc1ccc(O)c(O)c1
InChIKey
JQXBETDGCMQLMK-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5,11-12H,4H2,1H3

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Names and synonyms

4 names
  • 2-Propanone, 1-(3,4-dihydroxyphenyl)-
  • 2-Propanone, (3,4-dihydroxyphenyl)-
  • 3,4-Dihydroxyphenylacetone
  • 1-(3′,4′-Dihydroxyphenyl)-2-propanone

Work with 1-(3,4-Dihydroxyphenyl)-2-propanone

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

Guaiacylacetone2503-46-067 % similar 4-Hydroxyphenylacetone770-39-861 % similar 3,4-Dihydroxyphenylacetic acid102-32-961 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-551 % similar (3,4-Dimethoxyphenyl)acetone776-99-851 % similar Phenylacetone103-79-750 % similar 4-Ethyl-1,2-benzenediol1124-39-650 % similar (4-Fluorophenyl)acetone459-03-050 % 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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