HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 15463549Generated: November 3, 2026
5-[2-Hydroxy-4-(2-methoxyphenyl)-4-methyl-2-trifluoromethyl-valeroylamino]-phthalide
https://huagongshe.com/en/chemical/15463549
Identifiers & Physical Properties
| Molecular formula | C22H22F3NO5 |
|---|
| Average molar mass | 437.4 g/mol |
|---|
| Monoisotopic mass | 437.14500729 g/mol |
|---|
| SMILES | COc1ccccc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F |
|---|
| InChIKey | BPBUAOIZTSGINR-UHFFFAOYSA-N |
|---|
| PubChem CID | 15463549 |
|---|
Chemical & Physical Properties
| XLogP | 4 |
|---|
| Topological polar surface area | 84.9 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 8 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 31 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 683 |
|---|
![5-[2-Hydroxy-4-(2-methoxyphenyl)-4-methyl-2-trifluoromethyl-valeroylamino]-phthalide molecular structure](/img/chemical/15463549.png)