HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(3-(2,6-Dimethylbenzyloxy)phenyl)-5-oxopentanoic acid
Identifiers & Physical Properties
| Molecular formula | C20H22O4 |
|---|---|
| Average molar mass | 326.4 g/mol |
| SMILES | Cc1cccc(C)c1COc1cccc(C(=O)CCCC(=O)O)c1 |
| InChIKey | DHGDVXTYMOEPHN-UHFFFAOYSA-N |
| PubChem CID | 44547310 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 63.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 8 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 410 |