4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-ethoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-ethoxyphenyl 3-methoxybenzoate
4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-ethoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0066 |
| Compound Name: | 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-ethoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 562.66 |
| Molecular Formula: | C33 H38 O8 |
| Smiles: | CCOc1cc(ccc1OC(c1cccc(c1)OC)=O)C(C1=C(CC(C)(C)CC1=O)O)C1=C(CC(C)(C)CC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.2677 |
| logD: | 4.2676 |
| logSw: | -4.5702 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.149 |
| InChI Key: | MKMDHEHRNYIKBC-UHFFFAOYSA-N |