Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Rhapontigenin |
EINECS | 1312995-182-4 |
CAS No. | 500-65-2 | Density | 1.345 g/cm3 |
PSA | 69.92000 | LogP | 2.98240 |
Solubility | N/A | Melting Point |
186-187oC |
Formula | C15H14O4 | Boiling Point | 503.6 °C at 760 mmHg |
Molecular Weight | 258.274 | Flash Point | 258.4 °C |
Transport Information | N/A | Appearance | White, off grey crystal powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3',5-Stilbenetriol,4'-methoxy-, (E)- (8CI);5-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol; |
Article Data | 9 |
The 1,3-Benzenediol,5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-, with the CAS registry number 500-65-2, is also known as 5-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol. This chemical's molecular formula is C15H14O4 and molecular weight is 258.2693. What's more, it should be stored in condition of dry and cold.
Physical properties about 1,3-Benzenediol,5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]- are: (1)ACD/LogP: 2.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 82.47; (6)ACD/BCF (pH 7.4): 80.72; (7)ACD/KOC (pH 5.5): 818.98; (8)ACD/KOC (pH 7.4): 801.53; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 75.96 cm3; (15)Molar Volume: 191.9 cm3; (16)Polarizability: 30.11×10-24 cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.345 g/cm3; (19)Flash Point: 258.4 °C; (20)Enthalpy of Vaporization: 80.22 kJ/mol; (21)Boiling Point: 503.6 °C at 760 mmHg; (22)Vapour Pressure: 9.12E-11 mmHg at 25 °C.
Uses of 1,3-Benzenediol,5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-: it can react with Iodomethane to give (E)-3,3',4,5'-Tetramethoxystilbene. The reaction occurs with reagent NaH and solvent Dimethylformamide at temperature of 20 °C. The reaction time is 2 hours. The yield is 86%.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(ccc1OC)\C=C\c2cc(O)cc(O)c2
(2) InChI: InChI=1/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
(3) InChIKey: PHMHDRYYFAYWEG-NSCUHMNNBA