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Substance Name: Acetophenone, 2,4'-dihydroxy-3'-methoxy-
RN: 18256-48-9
InChIKey: QNMANLUEFQNQCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O4

Molecular Weight

  • 182.174
 
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Names and Synonyms

Synonyms

  • 2,4'-Dihydroxy-3'-methoxyacetophenone
  • 2-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethanone
  • 4-08-00-02739 (Beilstein Handbook Reference)
  • alpha,4-Dihydroxy-3-methoxyacetophenone
  • alpha-Hydroxyacetoguaiacone
  • BRN 2259722

Systematic Names

  • Acetophenone, 2,4'-dihydroxy-3'-methoxy-
  • Ethanone, 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 18256-48-9

System Generated Number

  • 0018256489

Structure Descriptors

InChI

1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,10-11H,5H2,1H3

InChIKey

QNMANLUEFQNQCX-UHFFFAOYSA-N

Smiles

O=C(c1cc(c(cc1)O)OC)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 1149, 1968.
mouse LD50 subcutaneous > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 23, Pg. 1149, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.450 (none)   EST
Water Solubility 3000 mg/L 20 EXP
Atmospheric OH Rate Constant 2.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.