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Search term: QSTBAXOIDGCHAX (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 4-({6,7-dimethoxy-2-[4-(2-methyl-2-propanyl)benzoyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}methoxy)benzoate | C32H37NO6

Ethyl 4-({6,7-dimethoxy-2-[4-(2-methyl-2-propanyl)benzoyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}methoxy)benzoate

  • Molecular FormulaC32H37NO6
  • Average mass531.639 Da
  • Monoisotopic mass531.262085 Da
  • ChemSpider ID20914966

More details:






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

4-({6,7-Diméthoxy-2-[4-(2-méthyl-2-propanyl)benzoyl]-1,2,3,4-tétrahydro-1-isoquinoléinyl}méthoxy)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[4-(1,1-dimethylethyl)benzoyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoquinolinyl]methoxy]-, ethyl ester [ACD/Index Name]
Ethyl 4-({6,7-dimethoxy-2-[4-(2-methyl-2-propanyl)benzoyl]-1,2,3,4-tetrahydro-1-isoquinolinyl}methoxy)benzoate [ACD/IUPAC Name]
Ethyl-4-({6,7-dimethoxy-2-[4-(2-methyl-2-propanyl)benzoyl]-1,2,3,4-tetrahydro-1-isochinolinyl}methoxy)benzoat [German] [ACD/IUPAC Name]
ethyl 4-((2-(4-(tert-butyl)benzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 672.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23859.70
ACD/KOC (pH 5.5): 47328.03
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23859.70
ACD/KOC (pH 7.4): 47328.03
Polar Surface Area: 74 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 462.9±3.0 cm3

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