ChemSpider 2D Image | (2S)-8-(5,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl)-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one | C22H20O5

(2S)-8-(5,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl)-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC22H20O5
  • Average mass364.391 Da
  • Monoisotopic mass364.131073 Da
  • ChemSpider ID30823717

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-8-(5,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl)-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-8-(5,5-Dimethyl-4-oxo-4,5-dihydro-3-furanyl)-7-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-8-(5,5-Diméthyl-4-oxo-4,5-dihydro-3-furanyl)-7-méthoxy-2-phényl-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-(4,5-dihydro-5,5-dimethyl-4-oxo-3-furanyl)-2,3-dihydro-7-methoxy-2-phenyl-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 258.1±30.2 °C
Index of Refraction: 1.589
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 366.92
ACD/KOC (pH 5.5): 2384.13
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 366.92
ACD/KOC (pH 7.4): 2384.13
Polar Surface Area: 62 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 292.7±3.0 cm3

Click to predict properties on the Chemicalize site


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