ChemSpider 2D Image | 4-(5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-3-yl)-1,3-benzenediol | C21H20O5

4-(5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-3-yl)-1,3-benzenediol

  • Molecular FormulaC21H20O5
  • Average mass352.380 Da
  • Monoisotopic mass352.131073 Da
  • ChemSpider ID24843092

More details:

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

1,3-Benzenediol, 4-(5-methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-3-yl)- [ACD/Index Name]
4-(5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-3-yl)-1,3-benzenediol [ACD/IUPAC Name]
4-(5-Méthoxy-8,8-diméthyl-2H,8H-pyrano[3,2-g]chromén-3-yl)-1,3-benzènediol [French] [ACD/IUPAC Name]
4-(5-Methoxy-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-3-yl)-1,3-benzoldiol [German] [ACD/IUPAC Name]
53734-75-1 [RN]
4-(5-methoxy-2,2-dimethyl-8H-pyrano[3,2-g]chromen-7-yl)benzene-1,3-diol
MFCD23103574
Neoranflaven
Neorauflavene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 297.4±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4748.62
ACD/KOC (pH 5.5): 14902.73
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4705.88
ACD/KOC (pH 7.4): 14768.59
Polar Surface Area: 68 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

Click to predict properties on the Chemicalize site


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