ChemSpider 2D Image | (2E)-3-{5-[(3R)-8,8-Dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]-2,4-dimethoxyphenyl}-1-phenyl-2-propen-1-one | C31H30O5

(2E)-3-{5-[(3R)-8,8-Dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]-2,4-dimethoxyphenyl}-1-phenyl-2-propen-1-one

  • Molecular FormulaC31H30O5
  • Average mass482.567 Da
  • Monoisotopic mass482.209320 Da
  • ChemSpider ID44205699

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-{5-[(3R)-8,8-Dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]-2,4-dimethoxyphenyl}-1-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-{5-[(3R)-8,8-Dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]-2,4-dimethoxyphenyl}-1-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-{5-[(3R)-8,8-Diméthyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromén-3-yl]-2,4-diméthoxyphényl}-1-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[5-[(3R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]-2,4-dimethoxyphenyl]-1-phenyl-, (2E)- [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: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 274.3±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 72769.98
ACD/KOC (pH 5.5): 105139.45
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 72769.98
ACD/KOC (pH 7.4): 105139.45
Polar Surface Area: 54 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 409.5±3.0 cm3

Click to predict properties on the Chemicalize site


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