ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-6-isopropoxy-4-[2-(4-methoxyphenyl)ethoxy]-2H-chromene-3-carboxylic acid | C29H28O8

2-(1,3-Benzodioxol-5-yl)-6-isopropoxy-4-[2-(4-methoxyphenyl)ethoxy]-2H-chromene-3-carboxylic acid

  • Molecular FormulaC29H28O8
  • Average mass504.528 Da
  • Monoisotopic mass504.178406 Da
  • ChemSpider ID9071676

More details:

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

2-(1,3-benzodioxol-5-yl)-4-[2-(4-methoxyphenyl)ethoxy]-6-(propan-2-yloxy)-2H-chromene-3-carboxylic acid
2-(1,3-Benzodioxol-5-yl)-6-isopropoxy-4-[2-(4-methoxyphenyl)ethoxy]-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-6-isopropoxy-4-[2-(4-methoxyphenyl)ethoxy]-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxylic acid, 2-(1,3-benzodioxol-5-yl)-4-[2-(4-methoxyphenyl)ethoxy]-6-(1-methylethoxy)- [ACD/Index Name]
Acide 2-(1,3-benzodioxol-5-yl)-6-isopropoxy-4-[2-(4-méthoxyphényl)éthoxy]-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]
2-Benzo[1,3]dioxol-5-yl-6-isopropoxy-4-[2-(4-methoxy-phenyl)-ethoxy]-2H-chromene-3-carboxylic acid
CHEMBL291841
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL291841/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 223.1±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 390.71
ACD/KOC (pH 5.5): 869.80
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 7.83
ACD/KOC (pH 7.4): 17.43
Polar Surface Area: 93 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 373.1±5.0 cm3

Click to predict properties on the Chemicalize site


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