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Substance Name: 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-
RN: 108051-26-9
InChIKey: YUXJUMJXMFYOPQ-VMPITWQZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-O5

Molecular Weight

  • 312.3194
 
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Names and Synonyms

Synonyms

  • 1-(5-Acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-acetyl-2',4'-dihydroxy-3-(p-methoxyphenyl)-
  • BRN 5589031

Systematic Name

  • 2-Propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 108051-26-9

System Generated Number

  • 0108051269

Structure Descriptors

InChI

1S/C18H16O5/c1-11(19)14-9-15(18(22)10-17(14)21)16(20)8-5-12-3-6-13(23-2)7-4-12/h3-10,21-22H,1-2H3/b8-5+

InChIKey

YUXJUMJXMFYOPQ-VMPITWQZSA-N

Smiles

CC(=O)c1cc(c(cc1O)O)C(=O)/C=C/c2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.