ChemSpider 2D Image | 2-[(1E)-3-Methyl-1-buten-1-yl]-5-[(E)-2-phenylvinyl]-1,3-benzenediol | C19H20O2

2-[(1E)-3-Methyl-1-buten-1-yl]-5-[(E)-2-phenylvinyl]-1,3-benzenediol

  • Molecular FormulaC19H20O2
  • Average mass280.361 Da
  • Monoisotopic mass280.146332 Da
  • ChemSpider ID31120877
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Benzenediol, 2-[(1E)-3-methyl-1-buten-1-yl]-5-[(E)-2-phenylethenyl]- [ACD/Index Name]
2-[(1E)-3-Methyl-1-buten-1-yl]-5-[(E)-2-phenylvinyl]-1,3-benzenediol [ACD/IUPAC Name]
2-[(1E)-3-Méthyl-1-butén-1-yl]-5-[(E)-2-phénylvinyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
2-[(1E)-3-Methyl-1-buten-1-yl]-5-[(E)-2-phenylvinyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
Araphyn-1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 453.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 210.5±16.4 °C
Index of Refraction: 1.683
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5813.40
ACD/KOC (pH 5.5): 17224.42
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5716.89
ACD/KOC (pH 7.4): 16938.45
Polar Surface Area: 40 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 243.9±3.0 cm3

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