ChemSpider 2D Image | 7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium | C18H22NO3

7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium

  • Molecular FormulaC18H22NO3
  • Average mass300.372 Da
  • Monoisotopic mass300.159424 Da
  • ChemSpider ID24785192

  • Charge - Charge

More details:

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

7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisochinolinium [German] [ACD/IUPAC Name]
7-Hydroxy-1-(4-hydroxybenzyl)-6-méthoxy-2-méthyl-1,2,3,4-tétrahydroisoquinoléinium [French] [ACD/IUPAC Name]
7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium [ACD/IUPAC Name]
7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, conjugate acid [ACD/Index Name]
(R) -1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl) methyl ] -6-methoxy-2-methyl-7-isoquinolinol
(S)-1,2,3,4-tetrahydro-1-[ (4-hydroxyphenyl)methyl ]-6-methoxy-2-methyl -7-isoquinolinol
R-N-methylcoclaurine
S-N-methylcoclaurine

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

Density:
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 244.6±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 18.78
ACD/KOC (pH 7.4): 176.45
Polar Surface Area: 54 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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