1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
Compound characteristics
| Compound ID: | 0061-0021 |
| Compound Name: | 1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one |
| Molecular Weight: | 222.71 |
| Molecular Formula: | C13 H15 Cl O |
| Smiles: | CC(C)(C)C(/C=C/c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2888 |
| logD: | 4.2888 |
| logSw: | -4.735 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 13.4853 |
| InChI Key: | LXJZYHPGRKBVGF-UHFFFAOYSA-N |