2-chloro-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)naphthalene-1,4-dione
Chemical Structure Depiction of
2-chloro-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)naphthalene-1,4-dione
2-chloro-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 4456-0016 |
| Compound Name: | 2-chloro-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)naphthalene-1,4-dione |
| Molecular Weight: | 330.77 |
| Molecular Formula: | C18 H15 Cl O4 |
| Smiles: | CC1(C)CC(=C(C2=C(C(c3ccccc3C2=O)=O)[Cl])C(C1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.9072 |
| logD: | 1.4459 |
| logSw: | -3.5184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.798 |
| InChI Key: | CYRNWJCZQYXIBS-UHFFFAOYSA-N |