4′-Methoxychalcone

C16H14O2CAS 959-23-9238.29 g/mol

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OO
AlkeneEtherKetone

Properties

Molecular formula
C16H14O2
Molar mass
238.29 g/mol
Exact mass
238.0994 Da
Melting point
105–107 °C
logP
3.59Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

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
959-23-9
SMILES
COc1ccc(C(=O)C=Cc2ccccc2)cc1
InChIKey
KJHHAPASNNVTSN-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-12H,1H3

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Names and synonyms

7 names
  • 2-Propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-
  • Chalcone, 4′-methoxy-
  • 1-(4-Methoxyphenyl)-3-phenyl-2-propen-1-one
  • 1-(p-Methoxyphenyl)-3-phenyl-2-propen-1-one
  • 4-Methoxyphenyl styryl ketone
  • NSC 37157
  • 1-(4-Methoxyphenyl)-3-phenylpropenone

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′-Hydroxychalcone2657-25-259 % similar 4'-Fluorochalcone399-10-059 % similar 4'-Chlorochalcone956-02-559 % similar 3-(4-Methoxybenzoyl)acrylic acid5711-41-159 % 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 4,4'-Diacetylbiphenyl787-69-9 Dihydro-3,3-diphenyl-2(3H)-furanone956-89-8 4-Methoxychalcone959-33-1 (1R,4S,4Ar,9as)-rel-1,4,4A,9A-tetrahydro-4A-methyl-1,4-methanoanthracene-9,10-dione97804-50-7

Elsewhere

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