ChemSpider 2D Image | 4-Hydroxy-9-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]-7-methyl-5H-furo[3,2-g]chromen-5-one | C18H21NO6

4-Hydroxy-9-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]-7-methyl-5H-furo[3,2-g]chromen-5-one

  • Molecular FormulaC18H21NO6
  • Average mass347.362 Da
  • Monoisotopic mass347.136902 Da
  • ChemSpider ID34987078

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Hydroxy-9-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]-7-methyl-5H-furo[3,2-g]chromen-5-on [German] [ACD/IUPAC Name]
4-Hydroxy-9-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]-7-methyl-5H-furo[3,2-g]chromen-5-one [ACD/IUPAC Name]
4-Hydroxy-9-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]-7-méthyl-5H-furo[3,2-g]chromén-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,2-g][1]benzopyran-5-one, 4-hydroxy-9-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-7-methyl- [ACD/Index Name]
37855-80-4 [RN]
Iprocrolol [INN]
UNII-796BG09E22

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 455.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.4±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.53
Polar Surface Area: 101 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

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