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Substance Name: 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-
RN: 37620-38-5
InChIKey: JWGMSRAHCNKMBC-XBXARRHUSA-N

Molecular Formula

  • C17-H14-O3

Molecular Weight

  • 266.295
 
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Names and Synonyms

Synonyms

  • 0-19-00-00142 (Beilstein Handbook Reference)
  • 3-(1,3-Benzodiol-5-yl)-1-(4-methylphenyl)-2-propen-1-one
  • AI3-03763
  • BRN 0233667
  • Chalcone, 4'-methyl-3,4-(methylenedioxy)-

Systematic Names

  • 2-Propen-1-one, 3-(1,3-benzodiol-5-yl)-1-(4-methylphenyl)-
  • 2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 37620-38-5

System Generated Number

  • 0037620385

Structure Descriptors

InChI

1S/C17H14O3/c1-12-2-6-14(7-3-12)15(18)8-4-13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+

InChIKey

JWGMSRAHCNKMBC-XBXARRHUSA-N

Smiles

C(\C(c1ccc(C)cc1)=O)=C\c1cc2OCOc2cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 24, 1953.