chempirical

4-Nitrochalcone

C15H11NO3CAS 1222-98-6253.26 g/mol

Open in Covalent MOL file
ON+OO−
AlkeneKetoneNitro

Properties

Molecular formula
C15H11NO3
Molar mass
253.26 g/mol
Exact mass
253.0739 Da
Melting point
164.5 °C
logP
3.49Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
1222-98-6
SMILES
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIKey
WDZGGAFMGIOIQS-UHFFFAOYSA-N
InChI
InChI=1S/C15H11NO3/c17-15(13-4-2-1-3-5-13)11-8-12-6-9-14(10-7-12)16(18)19/h1-11H

Weigh it out

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

Names and synonyms

13 names · show all
  • 2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-
  • Chalcone, 4-nitro-
  • 3-(4-Nitrophenyl)-1-phenyl-2-propen-1-one
  • 1-(4-Nitrophenyl)-3-oxo-3-phenylpropene
  • p-Nitrobenzylideneacetophenone
  • p-Nitrostyryl phenyl ketone
  • 3-(p-Nitrophenyl)-1-phenyl-2-propen-1-one
  • 4-Nitrostyryl phenyl ketone
  • NSC 3383
  • NSC 636936
  • p-Nitrochalcone
  • 1-Phenyl-3-(4-nitrophenyl)-2-propenone
  • 1-Phenyl-3-(4-nitrophenyl)-2-propen-1-one

Work with 4-Nitrochalcone

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-Chalcone614-47-162 % similar Chalcone94-41-762 % similar 4-Nitrocinnamic acid619-89-660 % similar trans-4-Nitrocinnamic acid882-06-460 % similar 4-Nitrobenzophenone1144-74-758 % similar 4-Hydroxychalcone20426-12-456 % similar 4-Chlorochalcone956-04-756 % similar 4-Methoxychalcone959-33-152 % similar

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

Same formula

N-(Carboxymethyl)acridone38609-97-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook