ChemSpider 2D Image | 1-[5-Ethyl-9,12-dioxa-15-azatricyclo[15.3.1.0~3,8~]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]-3-(3-fluorophenoxy)-1-propanone | C29H32FNO4

1-[5-Ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]-3-(3-fluorophenoxy)-1-propanone

  • Molecular FormulaC29H32FNO4
  • Average mass477.567 Da
  • Monoisotopic mass477.231537 Da
  • ChemSpider ID77201466

More details:

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

1-[5-Ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]-3-(3-fluorophenoxy)-1-propanone [ACD/IUPAC Name]
1-[5-Éthyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]hénicosa-1(21),3,5,7,17,19-hexaén-15-yl]-3-(3-fluorophénoxy)-1-propanone [French] [ACD/IUPAC Name]
1-[5-Ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl]-3-(3-fluorphenoxy)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(16-ethyl-2,3,5,6-tetrahydro-14H-9,13-metheno-1,4,7-benzodioxaazacyclohexadecin-7(8H)-yl)-3-(3-fluorophenoxy)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 646.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21643.13
ACD/KOC (pH 5.5): 44137.51
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21643.13
ACD/KOC (pH 7.4): 44137.51
Polar Surface Area: 48 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 416.6±3.0 cm3

Click to predict properties on the Chemicalize site


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