ChemSpider 2D Image | 3-[3-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one | C31H37NO5

3-[3-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID2616746

More details:

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

2H-1-Benzopyran-2-one, 4,8-dimethyl-7-[(2-methylphenyl)methoxy]-3-[3-(octahydro-4a-hydroxy-2(1H)-isoquinolinyl)-3-oxopropyl]- [ACD/Index Name]
3-[3-(4a-Hydroxyoctahydro-2(1H)-isochinolinyl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[3-(4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl)-3-oxopropyl]-4,8-diméthyl-7-[(2-méthylbenzyl)oxy]-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[3-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one [ACD/IUPAC Name]
3-[3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylphenyl)methoxy]chromen-2-one
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylbenzyl)oxy]-2H-chromen-2-one
3-[3-(4a-Hydroxy-octahydro-isoquinolin-2-yl)-3-oxo-propyl]-4,8-dimethyl-7-(2-methyl-benzyloxy)-chromen-2-one
3-[3-(6-hydroxy-3-azabicyclo[4.4.0]dec-3-yl)-3-oxopropyl]-4,8-dimethyl-7-[(2-methylphenyl)methoxy]chromen-2-one
897819-59-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 12979.50
ACD/KOC (pH 5.5): 30609.62
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 12979.51
ACD/KOC (pH 7.4): 30609.66
Polar Surface Area: 76 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 415.3±3.0 cm3

Click to predict properties on the Chemicalize site


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