Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | 3-[2-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-one | C32H39NO5

3-[2-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-one

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID3749702

More details:

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

2H-1-Benzopyran-2-one, 7-[[4-(1,1-dimethylethyl)phenyl]methoxy]-4-methyl-3-[2-(octahydro-4a-hydroxy-2(1H)-isoquinolinyl)-2-oxoethyl]- [ACD/Index Name]
3-[2-(4a-Hydroxyoctahydro-2(1H)-isochinolinyl)-2-oxoethyl]-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[2-(4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl)-2-oxoéthyl]-4-méthyl-7-{[4-(2-méthyl-2-propanyl)benzyl]oxy}-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-[2-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-2-oxoethyl]-4-methyl-7-{[4-(2-methyl-2-propanyl)benzyl]oxy}-2H-chromen-2-one [ACD/IUPAC Name]
3-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-oxoethyl]-7-[(4-tert-butylphenyl)methoxy]-4-methylchromen-2-one
7-(4-tert-Butyl-benzyloxy)-3-[2-(4a-hydroxy-octahydro-isoquinolin-2-yl)-2-oxo-ethyl]-4-methyl-chromen-2-one
7-[(4-tert-butylbenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-methyl-2H-chromen-2-one
7-{[4-(tert-butyl)phenyl]methoxy}-3-[2-(6-hydroxy-3-azabicyclo[4.4.0]dec-3-yl)-2-oxoethyl]-4-methylchromen-2-one
897820-19-8 [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: 699.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.6±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 41106.56
ACD/KOC (pH 5.5): 69858.72
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 41106.56
ACD/KOC (pH 7.4): 69858.72
Polar Surface Area: 76 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

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