ChemSpider 2D Image | (3S,3aR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-3,3a-dihydro-2H-benzo[b]cyclopenta[d]furan-2-one | C26H22O5

(3S,3aR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-3,3a-dihydro-2H-benzo[b]cyclopenta[d]furan-2-one

  • Molecular FormulaC26H22O5
  • Average mass414.450 Da
  • Monoisotopic mass414.146729 Da
  • ChemSpider ID21200012

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,3aR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-3,3a-dihydro-2H-benzo[b]cyclopenta[d]furan-2-on [German] [ACD/IUPAC Name]
(3S,3aR)-6,8-Dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-3,3a-dihydro-2H-benzo[b]cyclopenta[d]furan-2-one [ACD/IUPAC Name]
(3S,3aR)-6,8-Diméthoxy-3a-(4-méthoxyphényl)-3-phényl-3,3a-dihydro-2H-benzo[b]cyclopenta[d]furan-2-one [French] [ACD/IUPAC Name]
2H-Benzo[b]cyclopenta[d]furan-2-one, 3,3a-dihydro-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-, (3S,3aR)- [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: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 240.8±30.2 °C
Index of Refraction: 1.654
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2249.16
ACD/KOC (pH 5.5): 8729.15
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2249.16
ACD/KOC (pH 7.4): 8729.15
Polar Surface Area: 54 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 316.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement