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| CAS No.: | 35302-70-6 |
|---|---|
| Name: | PINOSYLVIN MONO METHYL ETHER |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C15H14O2 |
| Molecular Weight: | 226.275 |
| Synonyms: | Phenol,3-methoxy-5-(2-phenylethenyl)-, (E)-;(E)-3-Hydroxy-5-methoxystilbene;Pinosylvin 3-(methyl ether);Pinosylvin monomethyl ether;Pinosylvin, methylether;Phenol,3-methoxy-5-[(1E)-2-phenylethenyl]-;3-Methoxy-5-[(E)-2-phenylethenyl]phenol;3-Methoxy-5-((E)-styryl)-phenol; |
| Density: | 1.159 g/cm3 |
| Boiling Point: | 405.8 °C at 760 mmHg |
| Flash Point: | 245.6 °C |
| Hazard Symbols: | Xn,N |
| Risk Codes: | 22-36-51/53 |
| Safety: | 26-61 |
| PSA: | 29.46000 |
| LogP: | 3.57120 |
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Specification
The 5-Methoxy-3-stilbenol, with the CAS registry number 35302-70-6, is also known as (E)-3-Hydroxy-5-methoxystilbene. It belongs to the product category of Stilbenes (substituted). This chemical's molecular formula is C15H14O2 and molecular weight is 226.27. What's more, its systematic name is 3-methoxy-5-[(E)-2-phenylethenyl]phenol.
Physical properties of 5-Methoxy-3-stilbenol are: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/BCF (pH 5.5): 1170.5; (5)ACD/BCF (pH 7.4): 1160.99; (6)ACD/KOC (pH 5.5): 5469.24; (7)ACD/KOC (pH 7.4): 5424.8; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 72.2 cm3; (14)Molar Volume: 195 cm3; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 245.6 °C; (18)Enthalpy of Vaporization: 68.31 kJ/mol; (19)Boiling Point: 405.8 °C at 760 mmHg; (20)Vapour Pressure: 3.63E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1)O)C=CC2=CC=CC=C2
(2)Isomeric SMILES: COC1=CC(=CC(=C1)O)/C=C/C2=CC=CC=C2
(3)InChI: InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7+
(4)InChIKey: JVIXPWIEOVZVJC-BQYQJAHWSA-N