ChemSpider 2D Image | (2S,3S)-2-Benzoyl-3-phenyl-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one | C21H18O3

(2S,3S)-2-Benzoyl-3-phenyl-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one

  • Molecular FormulaC21H18O3
  • Average mass318.366 Da
  • Monoisotopic mass318.125580 Da
  • ChemSpider ID30659047

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Benzoyl-3-phenyl-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-on [German] [ACD/IUPAC Name]
(2S,3S)-2-Benzoyl-3-phenyl-3,5,6,7-tetrahydro-1-benzofuran-4(2H)-one [ACD/IUPAC Name]
(2S,3S)-2-Benzoyl-3-phényl-3,5,6,7-tétrahydro-1-benzofuran-4(2H)-one [French] [ACD/IUPAC Name]
4(2H)-Benzofuranone, 2-benzoyl-3,5,6,7-tetrahydro-3-phenyl-, (2S,3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 227.6±30.2 °C
Index of Refraction: 1.630
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.53
ACD/KOC (pH 5.5): 2637.52
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 422.53
ACD/KOC (pH 7.4): 2637.52
Polar Surface Area: 43 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 254.1±5.0 cm3

Click to predict properties on the Chemicalize site


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