chempirical

Flopropione

C9H10O4CAS 2295-58-1182.17 g/mol

Open in Covalent MOL file
OHOOHHO
KetonePhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
Melting point
175.5 °C
logP
1.40Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
2295-58-1
SMILES
CCC(=O)c1c(O)cc(O)cc1O
InChIKey
PTHLEKANMPKYDB-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-2-6(11)9-7(12)3-5(10)4-8(9)13/h3-4,10,12-13H,2H2,1H3

Weigh it out

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

Names and synonyms

28 names · show all
  • 1-Propanone, 1-(2,4,6-trihydroxyphenyl)-
  • Propiophenone, 2′,4′,6′-trihydroxy-
  • Phloropropiophenone
  • 1-(2,4,6-Trihydroxyphenyl)-1-propanone
  • 2′,4′,6′-Trihydroxypropiophenone
  • 2,4,6-Trihydroxypropiophenone
  • RP 13907
  • Argobyl
  • Cospanon
  • Labroda
  • Labrodax supanate
  • Propiophloroglucine
  • Flopropion
  • Labrodax
  • 13907 R. P.
  • Phloropropionone
  • Propionylphloroglucinol
  • Gallepronin
  • Spasmoril
  • Supazlun
  • Flopion
  • Spamorin
  • Supanate
  • Gasstenon
  • Profenon
  • Pasmus
  • NSC 97909
  • 1-(2,4,6-Trihydroxyphenyl)propan-1-one

Work with Flopropione

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′-Dihydroxypropiophenone5792-36-962 % similar 2′,5′-Dihydroxypropiophenone938-46-557 % similar Phloretin60-82-256 % similar 3′-Hydroxypropiophenone13103-80-554 % similar 4′-Hydroxypropiophenone70-70-252 % similar 3′,4′-Dihydroxypropiophenone7451-98-151 % similar Phloroglucinol carboxylic acid83-30-750 % similar Methyl 2,4,6-trihydroxybenzoate3147-39-549 % similar

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

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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