ChemSpider 2D Image | (2,5-Dichlorophenyl){1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl}methanone | C27H27Cl2NO4

(2,5-Dichlorophenyl){1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl}methanone

  • Molecular FormulaC27H27Cl2NO4
  • Average mass500.414 Da
  • Monoisotopic mass499.131714 Da
  • ChemSpider ID20914899

More details:

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

(2,5-Dichlorophényl){1-[(3,5-diméthylphénoxy)méthyl]-6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl}méthanone [French] [ACD/IUPAC Name]
(2,5-Dichlorophenyl){1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl}methanone [ACD/IUPAC Name]
(2,5-Dichlorphenyl){1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (2,5-dichlorophenyl)[1-[(3,5-dimethylphenoxy)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]- [ACD/Index Name]
(2,5-dichlorophenyl)(1-((3,5-dimethylphenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.3±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 58851.27
ACD/KOC (pH 5.5): 90317.60
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 58851.27
ACD/KOC (pH 7.4): 90317.60
Polar Surface Area: 48 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 398.3±3.0 cm3

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