ChemSpider 2D Image | (3R)-6-Hydroxy-8-(4-hydroxy-2-methoxy-6-propylphenoxy)-3-methyl-3,4-dihydro-1H-isochromen-1-one | C20H22O6

(3R)-6-Hydroxy-8-(4-hydroxy-2-methoxy-6-propylphenoxy)-3-methyl-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID35516946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-6-Hydroxy-8-(4-hydroxy-2-methoxy-6-propylphenoxy)-3-methyl-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
(3R)-6-Hydroxy-8-(4-hydroxy-2-methoxy-6-propylphenoxy)-3-methyl-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
(3R)-6-Hydroxy-8-(4-hydroxy-2-méthoxy-6-propylphénoxy)-3-méthyl-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1-one, 3,4-dihydro-6-hydroxy-8-(4-hydroxy-2-methoxy-6-propylphenoxy)-3-methyl-, (3R)- [ACD/Index Name]
Spiromastol H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 215.2±25.0 °C
Index of Refraction: 1.589
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 346.99
ACD/KOC (pH 5.5): 2286.75
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 234.88
ACD/KOC (pH 7.4): 1547.91
Polar Surface Area: 85 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 284.6±3.0 cm3

Click to predict properties on the Chemicalize site


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