ChemSpider 2D Image | (3Z,5Z)-3-(3-Fluorobenzylidene)-5-(3-hydroxy-4-methoxybenzylidene)tetrahydro-4H-thiopyran-4-one | C20H17FO3S

(3Z,5Z)-3-(3-Fluorobenzylidene)-5-(3-hydroxy-4-methoxybenzylidene)tetrahydro-4H-thiopyran-4-one

  • Molecular FormulaC20H17FO3S
  • Average mass356.411 Da
  • Monoisotopic mass356.088257 Da
  • ChemSpider ID58109169

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,5Z)-3-(3-Fluorbenzyliden)-5-(3-hydroxy-4-methoxybenzyliden)tetrahydro-4H-thiopyran-4-on [German] [ACD/IUPAC Name]
(3Z,5Z)-3-(3-Fluorobenzylidene)-5-(3-hydroxy-4-methoxybenzylidene)tetrahydro-4H-thiopyran-4-one [ACD/IUPAC Name]
(3Z,5Z)-3-(3-Fluorobenzylidène)-5-(3-hydroxy-4-méthoxybenzylidène)tétrahydro-4H-thiopyrane-4-one [French] [ACD/IUPAC Name]
4H-Thiopyran-4-one, 3-[(3-fluorophenyl)methylene]tetrahydro-5-[(3-hydroxy-4-methoxyphenyl)methylene]-, (3Z,5Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 317.2±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 778.25
ACD/KOC (pH 5.5): 4083.65
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 770.53
ACD/KOC (pH 7.4): 4043.13
Polar Surface Area: 72 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


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