ChemSpider 2D Image | (2E)-3-{4-[(2-Chlorobenzyl)oxy]phenyl}-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-propen-1-one | C30H32ClNO2

(2E)-3-{4-[(2-Chlorobenzyl)oxy]phenyl}-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-propen-1-one

  • Molecular FormulaC30H32ClNO2
  • Average mass474.034 Da
  • Monoisotopic mass473.212158 Da
  • ChemSpider ID121300594

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(2-Chlorbenzyl)oxy]phenyl}-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isochinolinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-{4-[(2-Chlorobenzyl)oxy]phényl}-1-(1-isobutyl-6-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-{4-[(2-Chlorobenzyl)oxy]phenyl}-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-propen-1-one [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-[3,4-dihydro-6-methyl-1-(2-methylpropyl)-2(1H)-isoquinolinyl]-, (2E)- [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: 656.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 350.9±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 223044.27
ACD/KOC (pH 5.5): 234397.86
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 223044.27
ACD/KOC (pH 7.4): 234397.86
Polar Surface Area: 30 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 411.3±3.0 cm3

Click to predict properties on the Chemicalize site


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