ChemSpider 2D Image | cis-(+)-3-flavanol | C15H14O2

cis-(+)-3-flavanol

  • Molecular FormulaC15H14O2
  • Average mass226.270 Da
  • Monoisotopic mass226.099380 Da
  • ChemSpider ID52085357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Phenyl-3-chromanol [German] [ACD/IUPAC Name]
(2S,3S)-2-Phenyl-3-chromanol [ACD/IUPAC Name]
(2S,3S)-2-Phényl-3-chromanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-ol, 3,4-dihydro-2-phenyl-, (2S,3S)- [ACD/Index Name]
cis-(+)-3-flavanol
3-FLAVANOL, CIS-(+)-
cis-flavan-3-ol

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

HPJ19AX27F [DBID]
UNII:HPJ19AX27F [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 185.4±22.1 °C
Index of Refraction: 1.618
Molar Refractivity: 66.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.38
ACD/KOC (pH 5.5): 1240.99
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.38
ACD/KOC (pH 7.4): 1240.99
Polar Surface Area: 29 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 188.5±3.0 cm3

Click to predict properties on the Chemicalize site


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