ChemSpider 2D Image | (3S)-3-Methyl-4-(4-methylphenyl)-1,3,6,7-tetrahydrobenzo[c]benzo[5,6]phenanthro[4,3-e]oxepin-14-ol | C34H28O2

(3S)-3-Methyl-4-(4-methylphenyl)-1,3,6,7-tetrahydrobenzo[c]benzo[5,6]phenanthro[4,3-e]oxepin-14-ol

  • Molecular FormulaC34H28O2
  • Average mass468.585 Da
  • Monoisotopic mass468.208923 Da
  • ChemSpider ID30658651

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Methyl-4-(4-methylphenyl)-1,3,6,7-tetrahydrobenzo[c]benzo[5,6]phenanthro[4,3-e]oxepin-14-ol [German] [ACD/IUPAC Name]
(3S)-3-Methyl-4-(4-methylphenyl)-1,3,6,7-tetrahydrobenzo[c]benzo[5,6]phenanthro[4,3-e]oxepin-14-ol [ACD/IUPAC Name]
(3S)-3-Méthyl-4-(4-méthylphényl)-1,3,6,7-tétrahydrobenzo[c]benzo[5,6]phénanthro[4,3-e]oxépin-14-ol [French] [ACD/IUPAC Name]
Benzo[c]benzo[5,6]phenanthro[4,3-e]oxepin-14-ol, 1,3,6,7-tetrahydro-3-methyl-4-(4-methylphenyl)-, (3S)- [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: 731.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 361.2±27.1 °C
Index of Refraction: 1.682
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.98
ACD/LogD (pH 5.5): 8.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1688519.75
ACD/LogD (pH 7.4): 8.91
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1671314.63
Polar Surface Area: 29 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site


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