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Substance Name: 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-
RN: 108051-33-8
InChIKey: GYOBHFTXODOIFL-DUXPYHPUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-Br-O5

Molecular Weight

  • 365.1777
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(p-hydroxy-m-methoxyphenyl)-
  • BRN 5581174

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108051-33-8

System Generated Number

  • 0108051338

Structure Descriptors

InChI

1S/C16H13BrO5/c1-22-16-6-9(3-5-13(16)19)2-4-12(18)10-7-11(17)15(21)8-14(10)20/h2-8,19-21H,1H3/b4-2+

InChIKey

GYOBHFTXODOIFL-DUXPYHPUSA-N

Smiles

COc1cc(ccc1O)/C=C/C(=O)c2cc(c(cc2O)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 270mg/kg (270mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.