ChemSpider 2D Image | (2E)-3-[4-(Benzyloxy)-3-chloro-5-methoxyphenyl]-1-(4-methoxy-1-naphthyl)-2-propen-1-one | C28H23ClO4

(2E)-3-[4-(Benzyloxy)-3-chloro-5-methoxyphenyl]-1-(4-methoxy-1-naphthyl)-2-propen-1-one

  • Molecular FormulaC28H23ClO4
  • Average mass458.933 Da
  • Monoisotopic mass458.128479 Da
  • ChemSpider ID126749751

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(Benzyloxy)-3-chlor-5-methoxyphenyl]-1-(4-methoxy-1-naphthyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)-3-chloro-5-methoxyphenyl]-1-(4-methoxy-1-naphthyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-[4-(Benzyloxy)-3-chloro-5-méthoxyphényl]-1-(4-méthoxy-1-naphtyl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 3-[3-chloro-5-methoxy-4-(phenylmethoxy)phenyl]-1-(4-methoxy-1-naphthalenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 223.0±30.5 °C
Index of Refraction: 1.650
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 115475.16
ACD/KOC (pH 5.5): 146321.30
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 115475.16
ACD/KOC (pH 7.4): 146321.30
Polar Surface Area: 45 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 368.6±3.0 cm3

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