ChemSpider 2D Image | [(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-5-yl)oxy]acetic acid | C33H31NO5

[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-5-yl)oxy]acetic acid

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID17249457

More details:

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

[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-5-yl)oxy]acetic acid [ACD/IUPAC Name]
[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-5-yl)oxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[1-[3-[(6-benzoyl-1-propyl-2-naphthalenyl)oxy]propyl]-1H-indol-5-yl]oxy]- [ACD/Index Name]
Acide [(1-{3-[(6-benzoyl-1-propyl-2-naphtyl)oxy]propyl}-1H-indol-5-yl)oxy]acétique [French] [ACD/IUPAC Name]
CHEMBL414868
dry
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL414868/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 742.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 402.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 533.15
ACD/KOC (pH 5.5): 723.67
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 22.67
ACD/KOC (pH 7.4): 30.77
Polar Surface Area: 78 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 435.2±7.0 cm3

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