Methopholine Methopholine Methopholine
IUPAC: 1-[2-(4-Chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Methopholine (2154-02-1) is also called for 1-(p-Chlorophenethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline ; 1-(p-Chlorophenethyl)-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline ; 1-(p-Chlorophenethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline ; ARC I-K-1 ; Isoquinoline, 1-(2-(4-chlorophenyl)ethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl- ; Mesofolin ; Metofolina ; Metofoline ; Metofolinum ; Metopholine ; NIH 7672 ; NSC 169889 ; Ro 4-1778/1 ; UNII-72L4ZT2W1P ; Versidyne and so on.
Molecular Formula: C20H24ClNO2
Molecular Weight: 345.86
LogP: ACD/LogP: 4.94
XLogP: 4.10
ALOGPS: 4.26
ACD/LogD (pH 5.5): 2.52
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 5.5): 12.76
ACD/BCF (pH 7.4): 651.23
ACD/KOC (pH 5.5): 44.19
ACD/KOC (pH 7.4): 2255.43
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 5
Heavy Atom Count: 24
Formal Charge: 0
Complexity: 386
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 1
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.559
Molar Refractivity: 98.76 cm3
Molar Volume: 305.5 cm3
Surface Tension: 39.3 dyne/cm
Density: 1.131 g/cm3
Flash Point: 225.5°C
Enthalpy of Vaporization: 70.8 kJ/mol
Boiling Point: 449.3°C at 760 mmHg
The molecular structure of Methopholine (2154-02-1) :
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