ChemSpider 2D Image | 2-Methoxy-5-[(1E)-3-(2-naphthyl)-3-oxo-1-propen-1-yl]phenyl 4-(2-isopropylphenoxy)butanoate | C33H32O5

2-Methoxy-5-[(1E)-3-(2-naphthyl)-3-oxo-1-propen-1-yl]phenyl 4-(2-isopropylphenoxy)butanoate

  • Molecular FormulaC33H32O5
  • Average mass508.604 Da
  • Monoisotopic mass508.224976 Da
  • ChemSpider ID126732189

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methoxy-5-[(1E)-3-(2-naphthyl)-3-oxo-1-propen-1-yl]phenyl 4-(2-isopropylphenoxy)butanoate [ACD/IUPAC Name]
2-Methoxy-5-[(1E)-3-(2-naphthyl)-3-oxo-1-propen-1-yl]phenyl-4-(2-isopropylphenoxy)butanoat [German] [ACD/IUPAC Name]
4-(2-Isopropylphénoxy)butanoate de 2-méthoxy-5-[(1E)-3-(2-naphtyl)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[2-(1-methylethyl)phenoxy]-, 2-methoxy-5-[(1E)-3-(2-naphthalenyl)-3-oxo-1-propen-1-yl]phenyl ester [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: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 350.4±19.5 °C
Index of Refraction: 1.616
Molar Refractivity: 152.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 7.14
ACD/BCF (pH 5.5): 157106.67
ACD/KOC (pH 5.5): 182395.05
ACD/LogD (pH 7.4): 7.14
ACD/BCF (pH 7.4): 157106.67
ACD/KOC (pH 7.4): 182395.05
Polar Surface Area: 62 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 437.0±3.0 cm3

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