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Substance Name: Diofenolan [ISO]
RN: 63837-33-2
UNII: 4809GWT7HE
InChIKey: ZDOOQPFIGYHZFV-UHFFFAOYSA-N

Molecular Formula

  • C18-H20-O4

Molecular Weight

  • 300.352
 
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Names and Synonyms

Name of Substance

  • Diofenolan [ISO]

Synonyms

  • CGA 59205
  • Diofenolan
  • UNII-4809GWT7HE

Systematic Name

  • 1,3-Dioxolane, 2-ethyl-4-((4-phenoxyphenoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 63837-33-2

FDA UNII

  • 4809GWT7HE

System Generated Number

  • 0063837332

Structure Descriptors

InChI

1S/C18H20O4/c1-2-18-20-13-17(22-18)12-19-14-8-10-16(11-9-14)21-15-6-4-3-5-7-15/h3-11,17-18H,2,12-13H2,1H3

InChIKey

ZDOOQPFIGYHZFV-UHFFFAOYSA-N

Smiles

CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 4.35 (none)   EXP
Water Solubility 4.9 mg/L 25 EXP
Vapor Pressure 8.25E-07 mm Hg 25 EXP
Henry's Law Constant 6.65E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.63E-11 cm3/molecule-sec 25 EST

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