ChemSpider 2D Image | (2S,4R)-4,7-Dihydroxy-5-methoxy-6-methyl-2-phenyl-8-chromanecarbaldehyde | C18H18O5

(2S,4R)-4,7-Dihydroxy-5-methoxy-6-methyl-2-phenyl-8-chromanecarbaldehyde

  • Molecular FormulaC18H18O5
  • Average mass314.332 Da
  • Monoisotopic mass314.115417 Da
  • ChemSpider ID34222667

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-4,7-Dihydroxy-5-methoxy-6-methyl-2-phenyl-8-chromancarbaldehyd [German] [ACD/IUPAC Name]
(2S,4R)-4,7-Dihydroxy-5-methoxy-6-methyl-2-phenyl-8-chromanecarbaldehyde [ACD/IUPAC Name]
(2S,4R)-4,7-Dihydroxy-5-méthoxy-6-méthyl-2-phényl-8-chromanecarbaldéhyde [French] [ACD/IUPAC Name]
2H-1-Benzopyran-8-carboxaldehyde, 3,4-dihydro-4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-, (2S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 180.9±22.2 °C
Index of Refraction: 1.641
Molar Refractivity: 86.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 194.36
ACD/KOC (pH 5.5): 1511.34
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 152.99
ACD/KOC (pH 7.4): 1189.66
Polar Surface Area: 76 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 238.9±3.0 cm3

Click to predict properties on the Chemicalize site


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