ChemSpider 2D Image | 4-{3-[7-Hydroxy-2-(2-hydroxy-2-propanyl)-4-(3-methyl-2-buten-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-methyl-3-buten-2-yl)-1,3-benzenediol | C30H40O5

4-{3-[7-Hydroxy-2-(2-hydroxy-2-propanyl)-4-(3-methyl-2-buten-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-methyl-3-buten-2-yl)-1,3-benzenediol

  • Molecular FormulaC30H40O5
  • Average mass480.636 Da
  • Monoisotopic mass480.287567 Da
  • ChemSpider ID23344409

More details:

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

1,3-Benzenediol, 4-[3-[2,3-dihydro-7-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(3-methyl-2-buten-1-yl)-5-benzofuranyl]propyl]-6-(1,1-dimethyl-2-propen-1-yl)- [ACD/Index Name]
4-{3-[7-Hydroxy-2-(2-hydroxy-2-propanyl)-4-(3-methyl-2-buten-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-methyl-3-buten-2-yl)-1,3-benzenediol [ACD/IUPAC Name]
4-{3-[7-Hydroxy-2-(2-hydroxy-2-propanyl)-4-(3-méthyl-2-butén-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-méthyl-3-butén-2-yl)-1,3-benzènediol [French] [ACD/IUPAC Name]
4-{3-[7-Hydroxy-2-(2-hydroxy-2-propanyl)-4-(3-methyl-2-buten-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-methyl-3-buten-2-yl)-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-{3-[7-hydroxy-2-(2-hydroxypropan-2-yl)-4-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-yl]propyl}-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
5'-(2-methylbut-3-en-2-yl)-6\"-(3-methylbut-2-enyl)-4\",5\"-[2-(1-hydroxy-1-methylethyl)]-dihydrofuranyl)-2',4',3\"-trihydroxy diphenylpropane
CHEMBL461632
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461632/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.8±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 140.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29107.09
ACD/KOC (pH 5.5): 54563.98
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28939.38
ACD/KOC (pH 7.4): 54249.59
Polar Surface Area: 90 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement