ChemSpider 2D Image | TRIPHENDIOL | C22H20O4

TRIPHENDIOL

  • Molecular FormulaC22H20O4
  • Average mass348.392 Da
  • Monoisotopic mass348.136169 Da
  • ChemSpider ID32698072

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-(4-Hydroxyphenyl)-4-(4-methoxyphenyl)-7-chromanol [German] [ACD/IUPAC Name]
(3R,4S)-3-(4-Hydroxyphenyl)-4-(4-methoxyphenyl)-7-chromanol [ACD/IUPAC Name]
(3R,4S)-3-(4-Hydroxyphényl)-4-(4-méthoxyphényl)-7-chromanol [French] [ACD/IUPAC Name]
1213777-80-0 [RN]
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-, (3R,4S)- [ACD/Index Name]
TRIPHENDIOL

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

6I62LZU21D [DBID]
UNII:6I62LZU21D [DBID]
UNII-6I62LZU21D [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 266.6±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 776.65
ACD/KOC (pH 5.5): 4077.71
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 772.21
ACD/KOC (pH 7.4): 4054.36
Polar Surface Area: 59 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 276.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement