ChemSpider 2D Image | (3R,4S)-1,2,3,4-Tetrahydrobenzo[k]tetraphene-3,4-diol | C22H18O2

(3R,4S)-1,2,3,4-Tetrahydrobenzo[k]tetraphene-3,4-diol

  • Molecular FormulaC22H18O2
  • Average mass314.377 Da
  • Monoisotopic mass314.130676 Da
  • ChemSpider ID29315413

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1,2,3,4-Tetrahydrobenzo[k]tetraphen-3,4-diol [German] [ACD/IUPAC Name]
(3R,4S)-1,2,3,4-Tetrahydrobenzo[k]tetraphene-3,4-diol [ACD/IUPAC Name]
(3R,4S)-1,2,3,4-Tétrahydrobenzo[k]tétraphène-3,4-diol [French] [ACD/IUPAC Name]
Dibenz[a,h]anthracene-3,4-diol, 1,2,3,4-tetrahydro-, (3R,4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 278.6±24.7 °C
Index of Refraction: 1.804
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2258.76
ACD/KOC (pH 5.5): 8755.81
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2258.76
ACD/KOC (pH 7.4): 8755.80
Polar Surface Area: 40 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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