chempirical

4,4′-Dimethoxychalcone

C17H16O3CAS 2373-89-9268.31 g/mol

Open in Covalent MOL file
OOO
AlkeneEtherKetone

Properties

Molecular formula
C17H16O3
Molar mass
268.31 g/mol
Exact mass
268.1099 Da
Melting point
101–102 °C
logP
3.60Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
2373-89-9
SMILES
COc1ccc(C=CC(=O)c2ccc(OC)cc2)cc1
InChIKey
HDXVSZWKIHQDES-UHFFFAOYSA-N
InChI
InChI=1S/C17H16O3/c1-19-15-8-3-13(4-9-15)5-12-17(18)14-6-10-16(20-2)11-7-14/h3-12H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propen-1-one, 1,3-bis(4-methoxyphenyl)-
  • Chalcone, 4,4′-dimethoxy-
  • 1,3-Bis(4-methoxyphenyl)-2-propen-1-one
  • p, p′-Dimethoxychalcone
  • NSC 87339
  • 1,3-Bis(4-methoxyphenyl)propenone

Work with 4,4′-Dimethoxychalcone

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′-Methoxychalcone959-23-984 % similar 4-Methoxychalcone959-33-184 % similar 4-Methoxycinnamic acid830-09-163 % similar Methyl 4-methoxycinnamate832-01-963 % similar trans-4-Methoxycinnamic acid943-89-563 % similar 1-(4-Methoxyphenyl)-1-penten-3-one104-27-859 % similar Ethyl (E)-4-methoxycinnamate24393-56-456 % similar 2′-Hydroxy-4,4′,6′-trimethoxychalcone3420-72-256 % similar

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

Same formula

1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol101597-25-5 Polyethylene glycol o-phenylphenyl ether acrylate72009-86-0

Elsewhere

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