ChemSpider 2D Image | (R)-(+)-Cherylline | C17H19NO3

(R)-(+)-Cherylline

  • Molecular FormulaC17H19NO3
  • Average mass285.338 Da
  • Monoisotopic mass285.136505 Da
  • ChemSpider ID28945805

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-(+)-Cherylline
(+)-cherylline
(4R)-4-(4-Hydroxyphenyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isochinolinol [German] [ACD/IUPAC Name]
(4R)-4-(4-Hydroxyphényl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydro-7-isoquinoléinol [French] [ACD/IUPAC Name]
(4R)-4-(4-Hydroxyphenyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinol [ACD/IUPAC Name]
(R)-cherylline
7-Isoquinolinol, 1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methoxy-2-methyl-, (4R)- [ACD/Index Name]
cherylline

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 233.2±28.7 °C
Index of Refraction: 1.620
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.92
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 7.49
ACD/KOC (pH 7.4): 96.91
Polar Surface Area: 53 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 232.4±3.0 cm3

Click to predict properties on the Chemicalize site


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