Showing Metabocard for 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene (BASm0000983)
| Common Name | 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene |
|---|---|
| Description | 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is found in fats and oils. 1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene is a constituent of the leaves of Ginkgo biloba (ginkgo). |
| Structure | |
| Molecular Formula | C16H16O4 |
| Average Mass | 272.29580 |
| Monoisotopic Mass | 272.10486 |
| IUPAC Name | 4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol |
| Traditional Name | 4-[(z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol |
| CAS Registry Number | 7329-69-3 |
| SMILES | COc1cc(C=Cc2ccc(O)c(OC)c2)ccc1O |
| InChI Identifier | InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3- |
| InChI Key | KQPXJFAYGYIGRU-ARJAWSKDSA-N |
| CHEBI ID | CHEBI:17501 |
| HMDB ID | HMDB0032847 |
| State | Solid |
| Water Solubility | 2.30e-02 g/l |
| logP | 3.01 |
| logS | -4.07 |
| pKa (Strongest Acidic) | 9.66 |
| pKa (Strongest Basic) | -4.59 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 58.92 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 78.40 m³·mol⁻¹ |
| Polarizability | 28.64 |