ChemSpider 2D Image | {1-[(4-Ethoxyphenoxy)methyl]-6-isobutoxy-3,4-dihydro-2(1H)-isoquinolinyl}(3-fluorophenyl)methanone | C29H32FNO4

{1-[(4-Ethoxyphenoxy)methyl]-6-isobutoxy-3,4-dihydro-2(1H)-isoquinolinyl}(3-fluorophenyl)methanone

  • Molecular FormulaC29H32FNO4
  • Average mass477.567 Da
  • Monoisotopic mass477.231537 Da
  • ChemSpider ID76746970

More details:

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

{1-[(4-Ethoxyphenoxy)methyl]-6-isobutoxy-3,4-dihydro-2(1H)-isochinolinyl}(3-fluorphenyl)methanon [German] [ACD/IUPAC Name]
{1-[(4-Éthoxyphénoxy)méthyl]-6-isobutoxy-3,4-dihydro-2(1H)-isoquinoléinyl}(3-fluorophényl)méthanone [French] [ACD/IUPAC Name]
{1-[(4-Ethoxyphenoxy)methyl]-6-isobutoxy-3,4-dihydro-2(1H)-isoquinolinyl}(3-fluorophenyl)methanone [ACD/IUPAC Name]
Methanone, [1-[(4-ethoxyphenoxy)methyl]-3,4-dihydro-6-(2-methylpropoxy)-2(1H)-isoquinolinyl](3-fluorophenyl)- [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: 630.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23666.94
ACD/KOC (pH 5.5): 47053.99
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23666.94
ACD/KOC (pH 7.4): 47053.99
Polar Surface Area: 48 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 412.4±3.0 cm3

Click to predict properties on the Chemicalize site


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