5-tert-butyl-2-(diphenylphosphoryl)-3-hydroxycyclohexa-2,5-diene-1,4-dione
Chemical Structure Depiction of
5-tert-butyl-2-(diphenylphosphoryl)-3-hydroxycyclohexa-2,5-diene-1,4-dione
5-tert-butyl-2-(diphenylphosphoryl)-3-hydroxycyclohexa-2,5-diene-1,4-dione
Compound characteristics
| Compound ID: | 8015-4906 |
| Compound Name: | 5-tert-butyl-2-(diphenylphosphoryl)-3-hydroxycyclohexa-2,5-diene-1,4-dione |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C22 H21 O4 P |
| Smiles: | CC(C)(C)C1=CC(C(=C(C1=O)O)P(c1ccccc1)(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5493 |
| logD: | -0.3653 |
| logSw: | -3.4112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.912 |
| InChI Key: | PNXGFRBQWQNLPM-UHFFFAOYSA-N |