4-{[2-methyl-6-oxo-5-(propan-2-yl)cyclohex-1-en-1-yl]methyl}phenyl benzoate
Chemical Structure Depiction of
4-{[2-methyl-6-oxo-5-(propan-2-yl)cyclohex-1-en-1-yl]methyl}phenyl benzoate
4-{[2-methyl-6-oxo-5-(propan-2-yl)cyclohex-1-en-1-yl]methyl}phenyl benzoate
Compound characteristics
| Compound ID: | 1231-0087 |
| Compound Name: | 4-{[2-methyl-6-oxo-5-(propan-2-yl)cyclohex-1-en-1-yl]methyl}phenyl benzoate |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C24 H26 O3 |
| Smiles: | CC(C)C1CCC(C)=C(Cc2ccc(cc2)OC(c2ccccc2)=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7224 |
| logD: | 5.7224 |
| logSw: | -5.6653 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.683 |
| InChI Key: | UWLCFAYYRGTZDE-NRFANRHFSA-N |