ChemSpider 2D Image | (3R)-1-Benzyl-3-hydroxy-5-methoxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-one | C27H27NO3

(3R)-1-Benzyl-3-hydroxy-5-methoxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC27H27NO3
  • Average mass413.508 Da
  • Monoisotopic mass413.199097 Da
  • ChemSpider ID30659278

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-Benzyl-3-hydroxy-5-methoxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3R)-1-Benzyl-3-hydroxy-5-methoxy-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3R)-1-Benzyl-3-hydroxy-5-méthoxy-3-[(1S,2E)-1-phényl-2-pentén-1-yl]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-5-methoxy-1-(phenylmethyl)-3-[(1S,2E)-1-phenyl-2-penten-1-yl]-, (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: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 122.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2567.80
ACD/KOC (pH 5.5): 9597.54
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2567.61
ACD/KOC (pH 7.4): 9596.81
Polar Surface Area: 50 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

Click to predict properties on the Chemicalize site


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