2′-Hydroxychalcone

C15H12O2CAS 1214-47-7224.26 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
89 °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.

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Identifiers

CAS number
1214-47-7
SMILES
O=C(C=Cc1ccccc1)c1ccccc1O
InChIKey
AETKQQBRKSELEL-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C15H13O2 225.0910
[M + Na]+
[M + Na]+ Calcd for C15H12NaO2 247.0730
[M − H]−
[M − H]− Calcd for C15H11O2 223.0765
Elemental analysis
Anal. Calcd for C15H12O2: C, 80.34; H, 5.39.

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Names and synonyms

9 names
  • 2-Propen-1-one, 1-(2-hydroxyphenyl)-3-phenyl-
  • Chalcone, 2′-hydroxy-
  • 1-(2-Hydroxyphenyl)-3-phenyl-2-propen-1-one
  • o-Hydroxychalcone
  • o-Cinnamoylphenol
  • 3-Phenyl-1-(2-hydroxyphenyl)-2-propen-1-one
  • RVC 556
  • NSC 18939
  • 2-(3-Phenyl-2-propenoyl)phenol

Work with 2′-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-Chalcone614-47-156 % similar Chalcone94-41-756 % similar Isoliquiritigenin961-29-555 % similar Juglone481-39-054 % similar 2-Hydroxychalcone644-78-054 % similar 1,4-Naphthoquinone130-15-450 % similar (E)-Cinnamic acid140-10-350 % similar (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one35225-79-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzoylmethane120-46-7 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-8 4-Hydroxychalcone20426-12-4 4′-Hydroxychalcone2657-25-2 Phenyl cinnamate2757-04-2 2-Hydroxychalcone42224-53-3 (±)-Flavanone487-26-3 Chalcone epoxide5411-12-1

Elsewhere

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