ChemSpider 2D Image | 1-{2,4,6-Trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}-1-dodecanone | C33H40O7

1-{2,4,6-Trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}-1-dodecanone

  • Molecular FormulaC33H40O7
  • Average mass548.667 Da
  • Monoisotopic mass548.277405 Da
  • ChemSpider ID116634

More details:

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

1-(3-(3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxyphenyl)-1-dodecanone
1-{2,4,6-Trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}-1-dodecanon [German] [ACD/IUPAC Name]
1-{2,4,6-Trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl}-1-dodecanone [ACD/IUPAC Name]
1-{2,4,6-Trihydroxy-3-[7-hydroxy-2-(4-hydroxyphényl)-3,4-dihydro-2H-chromén-4-yl]phényl}-1-dodécanone [French] [ACD/IUPAC Name]
1-Dodecanone, 1-(3-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxyphenyl)-
1-Dodecanone, 1-[3-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxyphenyl]- [ACD/Index Name]
1-[2,4,6-trihydroxy-3-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
137130-31-5 [RN]
YM 26567-1
YM-26567-1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 215.7±25.0 °C
Index of Refraction: 1.613
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 9.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3204059.50
ACD/LogD (pH 7.4): 8.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 937159.88
Polar Surface Area: 127 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 444.4±3.0 cm3

Click to predict properties on the Chemicalize site


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