Found 10 results

Search term: MF = 'C_{40}H_{40}O_{9}'
ChemSpider 2D Image | [(1R,6S)-2-[2,6-Dimethoxy-4-(6-methoxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dimethoxyphenyl)-4-methyl-3-cyclohexen-1-yl](2-hydroxy-4-methoxyphenyl)methanone | C40H40O9

[(1R,6S)-2-[2,6-Dimethoxy-4-(6-methoxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dimethoxyphenyl)-4-methyl-3-cyclohexen-1-yl](2-hydroxy-4-methoxyphenyl)methanone

  • Molecular FormulaC40H40O9
  • Average mass664.740 Da
  • Monoisotopic mass664.267212 Da
  • ChemSpider ID75564252

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

[(1R,6S)-2-[2,6-Dimethoxy-4-(6-methoxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dimethoxyphenyl)-4-methyl-3-cyclohexen-1-yl](2-hydroxy-4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
[(1R,6S)-2-[2,6-Dimethoxy-4-(6-methoxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dimethoxyphenyl)-4-methyl-3-cyclohexen-1-yl](2-hydroxy-4-methoxyphenyl)methanone [ACD/IUPAC Name]
[(1R,6S)-2-[2,6-Diméthoxy-4-(6-méthoxy-1-benzofuran-2-yl)phényl]-6-(2,4-diméthoxyphényl)-4-méthyl-3-cyclohexén-1-yl](2-hydroxy-4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(1R,6S)-2-[2,6-dimethoxy-4-(6-methoxy-2-benzofuranyl)phenyl]-6-(2,4-dimethoxyphenyl)-4-methyl-3-cyclohexen-1-yl](2-hydroxy-4-methoxyphenyl)- [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: 772.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 421.0±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 8.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 826868.81
ACD/LogD (pH 7.4): 8.10
ACD/BCF (pH 7.4): 735134.63
ACD/KOC (pH 7.4): 466486.38
Polar Surface Area: 106 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 547.8±3.0 cm3

Click to predict properties on the Chemicalize site


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