ChemSpider 2D Image | 1-[1-(4-Methylphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2,2-diphenylethanone | C30H27NO

1-[1-(4-Methylphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2,2-diphenylethanone

  • Molecular FormulaC30H27NO
  • Average mass417.542 Da
  • Monoisotopic mass417.209259 Da
  • ChemSpider ID22769688

More details:

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

1-[1-(4-Methylphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-2,2-diphenylethanon [German] [ACD/IUPAC Name]
1-[1-(4-Méthylphényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2,2-diphényléthanone [French] [ACD/IUPAC Name]
1-[1-(4-Methylphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2,2-diphenylethanone [ACD/IUPAC Name]
Ethanone, 1-[3,4-dihydro-1-(4-methylphenyl)-2(1H)-isoquinolinyl]-2,2-diphenyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 244.7±22.1 °C
Index of Refraction: 1.630
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 42961.98
ACD/KOC (pH 5.5): 72101.53
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 42961.98
ACD/KOC (pH 7.4): 72101.53
Polar Surface Area: 20 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 363.6±3.0 cm3

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