Found 87 results

Search term: MF = 'C_{36}H_{43}N_{3}O_{6}'
ChemSpider 2D Image | 5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[4-(hexyloxy)-3-methoxyphenyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C36H43N3O6

5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[4-(hexyloxy)-3-methoxyphenyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC36H43N3O6
  • Average mass613.743 Da
  • Monoisotopic mass613.315186 Da
  • ChemSpider ID12021630

More details:

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

5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[4-(hexyloxy)-3-methoxyphenyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
5-[2-(3,4-Dimethoxyphenyl)ethyl]-4-[4-(hexyloxy)-3-methoxyphenyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
5-[2-(3,4-Diméthoxyphényl)éthyl]-4-[4-(hexyloxy)-3-méthoxyphényl]-3-(2-hydroxy-4,6-diméthylphényl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(hexyloxy)-3-methoxyphenyl]-4,5-dihydro-3-(2-hydroxy-4,6-dimethylphenyl)- [ACD/Index 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: 763.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 415.7±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 174.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23313.40
ACD/KOC (pH 5.5): 46536.96
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 21675.35
ACD/KOC (pH 7.4): 43267.17
Polar Surface Area: 106 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 514.9±3.0 cm3

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