ChemSpider 2D Image | 3-[(1R)-6-Hydroxy-7-methoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-1-(4-methoxyphenyl)-2-propen-1-one | C21H23NO4

3-[(1R)-6-Hydroxy-7-methoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-1-(4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC21H23NO4
  • Average mass353.412 Da
  • Monoisotopic mass353.162720 Da
  • ChemSpider ID35312129

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Propen-1-one, 3-[(1R)-3,4-dihydro-6-hydroxy-7-methoxy-1-methyl-2(1H)-isoquinolinyl]-1-(4-methoxyphenyl)- [ACD/Index Name]
3-[(1R)-6-Hydroxy-7-methoxy-1-methyl-3,4-dihydro-2(1H)-isochinolinyl]-1-(4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
3-[(1R)-6-Hydroxy-7-méthoxy-1-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl]-1-(4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
3-[(1R)-6-Hydroxy-7-methoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]-1-(4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC 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: 535.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 277.7±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 184.04
ACD/KOC (pH 5.5): 1329.40
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.65
ACD/KOC (pH 7.4): 1810.62
Polar Surface Area: 59 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 289.1±3.0 cm3

Click to predict properties on the Chemicalize site


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