ChemSpider 2D Image | 7-(Benzyloxy)-1-[4-(benzyloxy)phenyl]-6-methoxyisoquinoline | C30H25NO3

7-(Benzyloxy)-1-[4-(benzyloxy)phenyl]-6-methoxyisoquinoline

  • Molecular FormulaC30H25NO3
  • Average mass447.524 Da
  • Monoisotopic mass447.183441 Da
  • ChemSpider ID74009719

More details:

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

7-(Benzyloxy)-1-[4-(benzyloxy)phenyl]-6-methoxyisochinolin [German] [ACD/IUPAC Name]
7-(Benzyloxy)-1-[4-(benzyloxy)phényl]-6-méthoxyisoquinoléine [French] [ACD/IUPAC Name]
7-(Benzyloxy)-1-[4-(benzyloxy)phenyl]-6-methoxyisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6-methoxy-7-(phenylmethoxy)-1-[4-(phenylmethoxy)phenyl]- [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: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 212.4±21.8 °C
Index of Refraction: 1.643
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 12554.45
ACD/KOC (pH 5.5): 20319.58
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47079.41
ACD/KOC (pH 7.4): 76198.77
Polar Surface Area: 41 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 375.5±3.0 cm3

Click to predict properties on the Chemicalize site


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