ChemSpider 2D Image | 10-(Benzyloxy)-12-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline | C37H41NO5

10-(Benzyloxy)-12-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline

  • Molecular FormulaC37H41NO5
  • Average mass579.725 Da
  • Monoisotopic mass579.298462 Da
  • ChemSpider ID109845451

More details:

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

10-(Benzyloxy)-12-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
10-(Benzyloxy)-12-(3,4-diéthoxyphényl)-2,3-diéthoxy-5,6,12,12a-tétrahydroindolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
10-(Benzyloxy)-12-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline [ACD/IUPAC Name]
Indolo[2,1-a]isoquinoline, 12-(3,4-diethoxyphenyl)-2,3-diethoxy-5,6,12,12a-tetrahydro-10-(phenylmethoxy)- [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: 672.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 167.4±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 169.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.65
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 139675.47
ACD/KOC (pH 5.5): 129704.09
ACD/LogD (pH 7.4): 7.58
ACD/BCF (pH 7.4): 338414.16
ACD/KOC (pH 7.4): 314254.88
Polar Surface Area: 49 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 475.8±5.0 cm3

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