ChemSpider 2D Image | 2,3-Dimethoxy-5-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenol | C18H20O5

2,3-Dimethoxy-5-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenol

  • Molecular FormulaC18H20O5
  • Average mass316.348 Da
  • Monoisotopic mass316.131073 Da
  • ChemSpider ID23339914

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

133342-90-2 [RN]
2,3-Dimethoxy-5-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenol [ACD/IUPAC Name]
2,3-Dimethoxy-5-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenol [German] [ACD/IUPAC Name]
2,3-Diméthoxy-5-[(2S)-7-méthoxy-3,4-dihydro-2H-chromén-2-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 5-(3,4-dihydro-7-methoxy-2H-1-benzopyran-2-yl)-2,3-dimethoxy-, (S)-
Phenol, 5-[(2S)-3,4-dihydro-7-methoxy-2H-1-benzopyran-2-yl]-2,3-dimethoxy- [ACD/Index Name]
(2S)-5'-hydroxy-7,3',4'-trimethoxyflavan
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463469/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 243.6±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.53
ACD/KOC (pH 5.5): 1535.94
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.32
ACD/KOC (pH 7.4): 1518.84
Polar Surface Area: 57 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 261.9±3.0 cm3

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