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Rhapontigenin

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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 Molecular Structure of 500-65-2 (rhapontigenin) 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

Rhapontigenin Specification

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%.

1,3-Benzenediol,5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]- can react with iodomethane to give (E)-3,3',4,5'-Tetramethoxystilbene.1,3-Benzenediol,5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]- can react with iodomethane to give (E)-3,3',4,5'-Tetramethoxystilbene.1,3-Benzenediol,5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]- can react with iodomethane to give (E)-3,3',4,5'-Tetramethoxystilbene.

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

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