ChemSpider 2D Image | 1-[4-(Benzyloxy)phenyl]-6,7-dimethoxyisoquinoline | C24H21NO3

1-[4-(Benzyloxy)phenyl]-6,7-dimethoxyisoquinoline

  • Molecular FormulaC24H21NO3
  • Average mass371.428 Da
  • Monoisotopic mass371.152130 Da
  • ChemSpider ID74009708

More details:

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

1-[4-(Benzyloxy)phenyl]-6,7-dimethoxyisochinolin [German] [ACD/IUPAC Name]
1-[4-(Benzyloxy)phényl]-6,7-diméthoxyisoquinoléine [French] [ACD/IUPAC Name]
1-[4-(Benzyloxy)phenyl]-6,7-dimethoxyisoquinoline [ACD/IUPAC Name]
Isoquinoline, 6,7-dimethoxy-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: 532.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 187.6±20.4 °C
Index of Refraction: 1.625
Molar Refractivity: 111.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 1621.01
ACD/KOC (pH 5.5): 4662.62
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6218.01
ACD/KOC (pH 7.4): 17885.34
Polar Surface Area: 41 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 314.8±3.0 cm3

Click to predict properties on the Chemicalize site


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