ChemSpider 2D Image | 3-[(1R,3R)-3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2-hydroxy-4H-chromen-4-one | C31H23BrO3

3-[(1R,3R)-3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2-hydroxy-4H-chromen-4-one

  • Molecular FormulaC31H23BrO3
  • Average mass523.417 Da
  • Monoisotopic mass522.083069 Da
  • ChemSpider ID9202933

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(1R,3R)-3-(4'-Brom-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalinyl]-2-hydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[(1R,3R)-3-(4'-Bromo-4-biphénylyl)-1,2,3,4-tétrahydro-1-naphtalényl]-2-hydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
3-[(1R,3R)-3-(4'-Bromo-4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2-hydroxy-4H-chromen-4-one [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(1R,3R)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-2-hydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 644.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 39663.72
ACD/KOC (pH 5.5): 34476.89
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 684.21
ACD/KOC (pH 7.4): 594.74
Polar Surface Area: 47 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 365.6±3.0 cm3

Click to predict properties on the Chemicalize site


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