2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8018-0323 |
| Compound Name: | 2-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 292.76 |
| Molecular Formula: | C16 H17 Cl O3 |
| Smiles: | CC1(C)CC(=C(CC(c2ccc(cc2)[Cl])=O)C(C1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.7919 |
| logD: | 2.7917 |
| logSw: | -3.1293 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.831 |
| InChI Key: | PCNPUPUGQVAPGB-UHFFFAOYSA-N |