ChemSpider 2D Image | (2E)-3-[3-Methoxy-4-(pentyloxy)phenyl]-1-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-phenyl-2-propen-1-one | C37H39NO4

(2E)-3-[3-Methoxy-4-(pentyloxy)phenyl]-1-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-phenyl-2-propen-1-one

  • Molecular FormulaC37H39NO4
  • Average mass561.710 Da
  • Monoisotopic mass561.287903 Da
  • ChemSpider ID121310022
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-[3-Methoxy-4-(pentyloxy)phenyl]-1-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-2-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3-Méthoxy-4-(pentyloxy)phényl]-1-[1-(2-méthoxyphényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-[3-Methoxy-4-(pentyloxy)phenyl]-1-[1-(2-methoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-phenyl-2-propen-1-one [ACD/IUPAC Name]
2-Propen-1-one, 1-[3,4-dihydro-1-(2-methoxyphenyl)-2(1H)-isoquinolinyl]-3-[3-methoxy-4-(pentyloxy)phenyl]-2-phenyl-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 169.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.13
ACD/LogD (pH 5.5): 8.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1002788.31
ACD/LogD (pH 7.4): 8.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1002788.31
Polar Surface Area: 48 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 491.7±3.0 cm3

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