Found 1159 results

Search term: MF = 'C_{29}H_{36}ClN_{3}O_{3}'
ChemSpider 2D Image | 3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-[4-(hexyloxy)phenyl]-5-pentyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C29H36ClN3O3

3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-[4-(hexyloxy)phenyl]-5-pentyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC29H36ClN3O3
  • Average mass510.067 Da
  • Monoisotopic mass509.244507 Da
  • ChemSpider ID11985966

More details:

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

3-(5-Chlor-2-hydroxy-4-methylphenyl)-4-[4-(hexyloxy)phenyl]-5-pentyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-[4-(hexyloxy)phenyl]-5-pentyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
3-(5-Chloro-2-hydroxy-4-méthylphényl)-4-[4-(hexyloxy)phényl]-5-pentyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[4-(hexyloxy)phenyl]-4,5-dihydro-5-pentyl- [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: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 232564.69
ACD/KOC (pH 5.5): 241287.06
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 184323.88
ACD/KOC (pH 7.4): 191236.97
Polar Surface Area: 78 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement