ChemSpider 2D Image | 6,7-Dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline | C27H27NO4

6,7-Dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC27H27NO4
  • Average mass429.508 Da
  • Monoisotopic mass429.194000 Da
  • ChemSpider ID23302359

More details:

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

6,7-Dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methyl]-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6,7-Diméthoxy-2-[(7-méthoxy-2-phényl-1-benzofuran-5-yl)méthyl]-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6,7-Dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-[(7-methoxy-2-phenyl-5-benzofuranyl)methyl]- [ACD/Index Name]
6,7-dimethoxy-2-((7-methoxy-2-phenylbenzofuran-5-yl)methyl)-1,2,3,4-tetrahydroisoquinoline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.2±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 448.32
ACD/KOC (pH 5.5): 1227.41
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6368.35
ACD/KOC (pH 7.4): 17435.45
Polar Surface Area: 44 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 359.8±3.0 cm3

Click to predict properties on the Chemicalize site


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