3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
Chemical Structure Depiction of
3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
Compound characteristics
| Compound ID: | C270-0072 |
| Compound Name: | 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C27 H30 O5 S |
| Smiles: | CC(C)c1cc(c(C)cc1O)C1(c2cc(C(C)C)c(cc2C)O)c2ccccc2S(=O)(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.7826 |
| logD: | 5.7821 |
| logSw: | -5.4065 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.782 |
| InChI Key: | PRZSXZWFJHEZBJ-UHFFFAOYSA-N |