ChemSpider 2D Image | (2Z)-3-[2-Hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]acrylic acid | C15H20O5

(2Z)-3-[2-Hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]acrylic acid

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID24624584

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-3-[2-Hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]acrylic acid [ACD/IUPAC Name]
(2Z)-3-[2-Hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]acrylsäure [German] [ACD/IUPAC Name]
(2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid
2-Propenoic acid, 3-[2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-[2-hydroxy-5-(1-hydroxy-3-méthylbutyl)-4-méthoxyphényl]acrylique [French] [ACD/IUPAC 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: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 190.1±23.6 °C
Index of Refraction: 1.591
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.44
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 228.4±3.0 cm3

Click to predict properties on the Chemicalize site


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