chempirical

4-Hydroxychalcone

C15H12O2CAS 20426-12-4224.26 g/mol

Open in Covalent MOL file
OOH
AlkeneKetonePhenol

Properties

Molecular formula
C15H12O2
Molar mass
224.26 g/mol
Exact mass
224.0837 Da
Melting point
183–184 °C
logP
3.29Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
20426-12-4
SMILES
O=C(C=Cc1ccc(O)cc1)c1ccccc1
InChIKey
PWWCDTYUYPOAIU-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11,16H

Weigh it out

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Names and synonyms

9 names
  • 2-Propen-1-one, 3-(4-hydroxyphenyl)-1-phenyl-
  • Chalcone, 4-hydroxy-
  • 3-(4-Hydroxyphenyl)-1-phenyl-2-propen-1-one
  • 4-Hydroxystyryl phenyl ketone
  • (4-Hydroxybenzylidene)acetophenone
  • (4-Hydroxybenzal)acetophenone
  • 1-Phenyl-3-(4-hydroxyphenyl)-2-propen-1-one
  • NSC 60593
  • p-Hydroxychalcone

Work with 4-Hydroxychalcone

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

trans-Chalcone614-47-172 % similar Chalcone94-41-772 % similar 4-Fluorochalcone1608-51-165 % similar 4-Chlorochalcone956-04-765 % similar 4-Methoxychalcone959-33-159 % similar 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-759 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-159 % similar trans-1,2-Dibenzoylethylene959-28-459 % similar

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

Same formula

Dibenzoylmethane120-46-7 2′-Hydroxychalcone1214-47-7 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-8 4′-Hydroxychalcone2657-25-2 Phenyl cinnamate2757-04-2 2-Hydroxychalcone42224-53-3 (±)-Flavanone487-26-3 Chalcone epoxide5411-12-1

Elsewhere

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