HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-[(3,4,5-Trimethoxyphenyl)methyl]-1,3-benzodioxole
![5-[(3,4,5-Trimethoxyphenyl)methyl]-1,3-benzodioxole molecular structure](/img/chemical/322607.png)
Identifiers & Physical Properties
| CAS No. | 6241-71-0 |
|---|---|
| Molecular formula | C17H18O5 |
| Average molar mass | 302.32 g/mol |
| Monoisotopic mass | 302.11542367 g/mol |
| SMILES | COc1cc(Cc2ccc3c(c2)OCO3)cc(OC)c1OC |
| InChIKey | VAMVJLVFVYDZBM-UHFFFAOYSA-N |
| PubChem CID | 322607 |
| ChEMBL | CHEMBL82024 |
| DTXSID | DTXSID70314101 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 46.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 336 |