ChemSpider 2D Image | (4S)-2-Allyl-4-[(2R)-1-(3,4-dimethoxyphenyl)-2-propanyl]-4,5-dimethoxy-2,5-cyclohexadien-1-one | C22H28O5

(4S)-2-Allyl-4-[(2R)-1-(3,4-dimethoxyphenyl)-2-propanyl]-4,5-dimethoxy-2,5-cyclohexadien-1-one

  • Molecular FormulaC22H28O5
  • Average mass372.455 Da
  • Monoisotopic mass372.193665 Da
  • ChemSpider ID28425582

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-2-Allyl-4-[(2R)-1-(3,4-dimethoxyphenyl)-2-propanyl]-4,5-dimethoxy-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(4S)-2-Allyl-4-[(2R)-1-(3,4-dimethoxyphenyl)-2-propanyl]-4,5-dimethoxy-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
(4S)-2-Allyl-4-[(2R)-1-(3,4-diméthoxyphényl)-2-propanyl]-4,5-diméthoxy-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,5-Cyclohexadien-1-one, 4-[(1R)-2-(3,4-dimethoxyphenyl)-1-methylethyl]-4,5-dimethoxy-2-(2-propen-1-yl)-, (4S)- [ACD/Index Name]
[74048-71-8] [RN]
74048-71-8 [RN]
Lancifolin C
MFCD20274947

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 219.9±30.2 °C
Index of Refraction: 1.537
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.80
ACD/KOC (pH 5.5): 2494.14
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.80
ACD/KOC (pH 7.4): 2494.14
Polar Surface Area: 54 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 336.0±5.0 cm3

Click to predict properties on the Chemicalize site


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