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Substance Name: 4H-1-Benzopyran-4-one, 3-methyl-2-phenyl- (9CI)
RN: 71972-66-2
InChIKey: LPACBRAWRCXZGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O2

Molecular Weight

  • 236.2688
 
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Names and Synonyms

Synonyms

  • 3-Methyl-2-phenyl-4H-1-benzopyran-4-one
  • 3-Methylflavone
  • 3-Metilflavone
  • 3-Metilflavone [Italian]
  • 5-17-10-00590 (Beilstein Handbook Reference)
  • BRN 0180009
  • REC 1-0025

Systematic Names

  • 4H-1-Benzopyran-4-one, 3-methyl-2-phenyl- (9CI)
  • Flavone, 3-methyl-

Registry Numbers

CAS Registry Number

  • 71972-66-2

System Generated Number

  • 0071972662

Structure Descriptors

InChI

1S/C16H12O2/c1-11-15(17)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

LPACBRAWRCXZGB-UHFFFAOYSA-N

Smiles

CC1=C(Oc2ccccc2C1=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 760mg/kg (760mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 11, Pg. 855, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.92 (none)   EXP
Water Solubility 12.6 mg/L 25 EST
Vapor Pressure 4.08E-06 mm Hg 25 EST
Henry's Law Constant 5.66E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.01E-11 cm3/molecule-sec 25 EST

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