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Search term: 24845860 (Found by CSID)
ChemSpider 2D Image | (2E)-1-[7-Hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-chromen-6-yl]-3-phenyl-2-propen-1-one | C25H26O3

(2E)-1-[7-Hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-chromen-6-yl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC25H26O3
  • Average mass374.472 Da
  • Monoisotopic mass374.188202 Da
  • ChemSpider ID24845860

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[7-Hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-chromen-6-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[7-Hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-chromen-6-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[7-Hydroxy-2,2-diméthyl-8-(3-méthyl-2-butén-1-yl)-2H-chromén-6-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[7-hydroxy-2,2-dimethyl-8-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-6-yl]-3-phenyl-, (2E)- [ACD/Index Name]
Spinochalcone C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 192.4±23.6 °C
Index of Refraction: 1.606
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36579.89
ACD/KOC (pH 5.5): 64184.38
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 27469.00
ACD/KOC (pH 7.4): 48198.07
Polar Surface Area: 47 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 333.6±3.0 cm3

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