ChemSpider 2D Image | (2E)-1-(1,3-Dihydroxy-8-isopropyl-5a-methyl-5a,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl)-3-phenyl-2-propen-1-one | C25H26O4

(2E)-1-(1,3-Dihydroxy-8-isopropyl-5a-methyl-5a,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl)-3-phenyl-2-propen-1-one

  • Molecular FormulaC25H26O4
  • Average mass390.471 Da
  • Monoisotopic mass390.183105 Da
  • ChemSpider ID24626561

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E)-1-(1,3-Dihydroxy-8-isopropyl-5a-methyl-5a,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl)-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(1,3-Dihydroxy-8-isopropyl-5a-methyl-5a,8,9,9a-tetrahydrodibenzo[b,d]furan-4-yl)-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(1,3-Dihydroxy-8-isopropyl-5a-méthyl-5a,8,9,9a-tétrahydrodibenzo[b,d]furan-4-yl)-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-phenyl-1-[5a,8,9,9a-tetrahydro-1,3-dihydroxy-5a-methyl-8-(1-methylethyl)-4-dibenzofuranyl]-, (2E)- [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: 551.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 187.2±23.6 °C
Index of Refraction: 1.638
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 12858.00
ACD/KOC (pH 5.5): 30038.14
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 2806.22
ACD/KOC (pH 7.4): 6555.74
Polar Surface Area: 67 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

Click to predict properties on the Chemicalize site


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