ChemSpider 2D Image | (2E)-3-[3-(Benzyloxy)-4-methoxyphenyl]-1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-6-yl)-2-propen-1-one | C33H36O6

(2E)-3-[3-(Benzyloxy)-4-methoxyphenyl]-1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-6-yl)-2-propen-1-one

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID8801377
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-[3-(Benzyloxy)-4-methoxyphenyl]-1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-6-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[3-(Benzyloxy)-4-methoxyphenyl]-1-(5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydro-2H,8H-pyrano[2,3-f]chromen-6-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[3-(Benzyloxy)-4-méthoxyphényl]-1-(5-hydroxy-2,2,8,8-tétraméthyl-3,4,9,10-tétrahydro-2H,8H-pyrano[2,3-f]chromén-6-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-methoxy-3-(phenylmethoxy)phenyl]-1-(3,4,9,10-tetrahydro-5-hydroxy-2,2,8,8-tetramethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-6-yl)-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 227.2±26.4 °C
Index of Refraction: 1.596
Molar Refractivity: 153.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.08
ACD/LogD (pH 5.5): 7.72
ACD/BCF (pH 5.5): 430112.09
ACD/KOC (pH 5.5): 374453.69
ACD/LogD (pH 7.4): 7.56
ACD/BCF (pH 7.4): 299022.41
ACD/KOC (pH 7.4): 260327.59
Polar Surface Area: 74 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 449.5±3.0 cm3

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