chempirical

4-Methoxychalcone

C16H14O2CAS 959-33-1238.29 g/mol

Open in Covalent MOL file
OO
AlkeneEtherKetone

Properties

Molecular formula
C16H14O2
Molar mass
238.29 g/mol
Exact mass
238.0994 Da
Melting point
79 °C
logP
3.59Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
959-33-1
SMILES
COc1ccc(C=CC(=O)c2ccccc2)cc1
InChIKey
XUFXKBJMCRJATM-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Propen-1-one, 3-(4-methoxyphenyl)-1-phenyl-
  • Chalcone, 4-methoxy-
  • 3-(4-Methoxyphenyl)-1-phenyl-2-propen-1-one
  • 4′-Methoxybenzylideneacetophenone
  • Phenyl p-methoxystyryl ketone
  • (4-Methoxybenzylidene)acetophenone
  • p-Methoxystyryl phenyl ketone
  • 3-(p-Methoxyphenyl)-1-phenyl-2-propen-1-one
  • 4-Methoxystyryl phenyl ketone
  • (p-Methoxybenzylidene)acetophenone
  • 1-Phenyl-3-(4-methoxyphenyl)-2-propen-1-one
  • NSC 11866
  • NSC 636917
  • 1-Phenyl-3-(4-methoxyphenyl)-2-propenone

Work with 4-Methoxychalcone

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

4,4′-Dimethoxychalcone2373-89-984 % similar trans-Chalcone614-47-166 % similar Chalcone94-41-766 % similar 4-Methoxystilbene1142-15-061 % similar 4-Hydroxychalcone20426-12-459 % similar 4-Chlorochalcone956-04-759 % similar 4-Methoxycinnamic acid830-09-158 % similar Methyl 4-methoxycinnamate832-01-958 % similar

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

Same formula

Benzyl cinnamate103-41-3 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-5 3,4-Dihydro-6-methyl-4-phenyl-2H-1-benzopyran-2-one40546-94-9 1,4-Diphenyl-1,4-butanedione495-71-6 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4′-Methoxychalcone959-23-9

Elsewhere

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