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Substance Name: 2-Propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)-
RN: 108051-32-7
InChIKey: NKFZQIXNOYVXMM-VOTSOKGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-Br-O4

Molecular Weight

  • 349.1787
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)-2-propen-1-one
  • Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(o-methoxyphenyl)-
  • BRN 5575821

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 108051-32-7

System Generated Number

  • 0108051327

Structure Descriptors

InChI

1S/C16H13BrO4/c1-21-16-5-3-2-4-10(16)6-7-13(18)11-8-12(17)15(20)9-14(11)19/h2-9,19-20H,1H3/b7-6+

InChIKey

NKFZQIXNOYVXMM-VOTSOKGWSA-N

Smiles

COc1ccccc1/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 250mg/kg (250mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 406, 1986.