ChemSpider 2D Image | (3R)-3-[2,4-Dimethoxy-5-(2-methyl-3-buten-2-yl)phenyl]-7,8-chromanediol | C22H26O5

(3R)-3-[2,4-Dimethoxy-5-(2-methyl-3-buten-2-yl)phenyl]-7,8-chromanediol

  • Molecular FormulaC22H26O5
  • Average mass370.439 Da
  • Monoisotopic mass370.178009 Da
  • ChemSpider ID30844597

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-[2,4-Dimethoxy-5-(2-methyl-3-buten-2-yl)phenyl]-7,8-chromandiol [German] [ACD/IUPAC Name]
(3R)-3-[2,4-Dimethoxy-5-(2-methyl-3-buten-2-yl)phenyl]-7,8-chromanediol [ACD/IUPAC Name]
(3R)-3-[2,4-Diméthoxy-5-(2-méthyl-3-butén-2-yl)phényl]-7,8-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-7,8-diol, 3-[5-(1,1-dimethyl-2-propen-1-yl)-2,4-dimethoxyphenyl]-3,4-dihydro-, (3R)- [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: 513.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 264.4±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1296.01
ACD/KOC (pH 5.5): 5882.90
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1286.81
ACD/KOC (pH 7.4): 5841.18
Polar Surface Area: 68 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 314.6±3.0 cm3

Click to predict properties on the Chemicalize site


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