ChemSpider 2D Image | 5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one | C25H26O5

5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one

  • Molecular FormulaC25H26O5
  • Average mass406.471 Da
  • Monoisotopic mass406.178009 Da
  • ChemSpider ID24843463

More details:

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

114542-44-8 [RN]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]- [ACD/Index Name]
5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one
5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-méthyl-2-butén-1-yl)phényl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
[114542-44-8] [RN]
5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]chromen-4-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 210.1±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8169.15
ACD/KOC (pH 5.5): 21129.57
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 576.30
ACD/KOC (pH 7.4): 1490.60
Polar Surface Area: 87 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 326.1±3.0 cm3

Click to predict properties on the Chemicalize site


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