ChemSpider 2D Image | (3S)-3,5-Dihydroxy-7-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one | C18H18O6

(3S)-3,5-Dihydroxy-7-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID57641859
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3,5-Dihydroxy-7-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3S)-3,5-Dihydroxy-7-methoxy-3-(4-methoxybenzyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3S)-3,5-Dihydroxy-7-méthoxy-3-(4-méthoxybenzyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-, (3S)- [ACD/Index Name]
17934-15-5 [RN]
7-O-Methyleucomol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 567.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 208.8±23.6 °C
Index of Refraction: 1.623
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.18
ACD/KOC (pH 5.5): 1510.59
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 87.49
ACD/KOC (pH 7.4): 677.15
Polar Surface Area: 85 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

Click to predict properties on the Chemicalize site






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