ChemSpider 2D Image | 3-(4-Methylphenyl)-2-{(E)-2-[4-(octyloxy)phenyl]vinyl}-4(3H)-quinazolinone | C31H34N2O2

3-(4-Methylphenyl)-2-{(E)-2-[4-(octyloxy)phenyl]vinyl}-4(3H)-quinazolinone

  • Molecular FormulaC31H34N2O2
  • Average mass466.614 Da
  • Monoisotopic mass466.262024 Da
  • ChemSpider ID23016044

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Methylphenyl)-2-{(E)-2-[4-(octyloxy)phenyl]vinyl}-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-2-{(E)-2-[4-(octyloxy)phenyl]vinyl}-4(3H)-quinazolinone [ACD/IUPAC Name]
3-(4-Méthylphényl)-2-{(E)-2-[4-(octyloxy)phényl]vinyl}-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-[(E)-2-[4-(octyloxy)phenyl]ethenyl]- [ACD/Index Name]
3-(4-METHYLPHENYL)-2-[(E)-2-(4-OCTOXYPHENYL)ETHENYL]QUINAZOLIN-4-ONE
3-(4-methylphenyl)-2-{(E)-2-[4-(octyloxy)phenyl]vinyl}quinazolin-4(3H)-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 144.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 9.09
ACD/LogD (pH 5.5): 8.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1129936.00
ACD/LogD (pH 7.4): 8.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1130816.00
Polar Surface Area: 42 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 40.4±7.0 dyne/cm
Molar Volume: 434.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement