ChemSpider 2D Image | 6,7-Dimethoxy-2-(4-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}butyl)-1,2,3,4-tetrahydroisoquinoline | C30H37NO4

6,7-Dimethoxy-2-(4-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}butyl)-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC30H37NO4
  • Average mass475.619 Da
  • Monoisotopic mass475.272247 Da
  • ChemSpider ID24703232

More details:

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

6,7-Dimethoxy-2-(4-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}butyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6,7-Diméthoxy-2-(4-{2-[2-(3-méthoxyphényl)éthyl]phénoxy}butyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
6,7-Dimethoxy-2-(4-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}butyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485727/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 156.4±27.3 °C
Index of Refraction: 1.566
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 130.03
ACD/KOC (pH 5.5): 234.48
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 6639.45
ACD/KOC (pH 7.4): 11972.32
Polar Surface Area: 40 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 431.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement