HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Benzofuranmethanol, 4,7-dimethoxy-alpha-(2-(3-hydroxyphenyl)ethyl)-6-(2-(1-pyrrolidinyl)ethoxy)-
4,7-Dimethoxy-α-[2-(3-hydroxyphenyl)ethyl]-6-[2-(1-pyrrolidinyl)ethoxy]-5-benzofuranmethanol
Identifiers & Physical Properties
| CAS No. | 40680-99-7 |
|---|---|
| Molecular formula | C25H31NO6 |
| Average molar mass | 441.5 g/mol |
| Monoisotopic mass | 441.21513771 g/mol |
| SMILES | COc1c(C(O)CCc2cccc(O)c2)c(OCCN2CCCC2)c(OC)c2occc12 |
| InChIKey | AYHWGRWLMHSBGC-UHFFFAOYSA-N |
| PubChem CID | 38607 |
| DTXSID | DTXSID40961080 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 84.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 10 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 559 |