ChemSpider 2D Image | (2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one | C20H18O4

(2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one

  • Molecular FormulaC20H18O4
  • Average mass322.354 Da
  • Monoisotopic mass322.120514 Da
  • ChemSpider ID28941991

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-on [German] [ACD/IUPAC Name]
(2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-5-one [ACD/IUPAC Name]
(2R,4R)-2-Méthoxy-2-méthyl-4-phényl-3,4-dihydro-2H,5H-pyrano[3,2-c]chromén-5-one [French] [ACD/IUPAC Name]
2H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 3,4-dihydro-2-methoxy-2-methyl-4-phenyl-, (2R,4R)- [ACD/Index Name]
(2S,4S)-2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[5,6-c]chromen-5-one
208-248-3 [EINECS]
2-methoxy-2-methyl-4-phenyl-3,4-dihydropyrano[3,2-c]chromen-5-one
518-20-7 [RN]
Cyclocumarol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL2114277/
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 488.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 216.2±28.8 °C
Index of Refraction: 1.624
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1149.69
ACD/KOC (pH 5.5): 5399.61
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1149.69
ACD/KOC (pH 7.4): 5399.61
Polar Surface Area: 45 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 252.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement