4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl 3-methoxybenzoate
4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | 5547-0065 |
| Compound Name: | 4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 548.63 |
| Molecular Formula: | C32 H36 O8 |
| Smiles: | CC1(C)CC(=C(C(C2=C(CC(C)(C)CC2=O)O)c2ccc(c(c2)OC)OC(c2cccc(c2)OC)=O)C(C1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.1221 |
| logD: | 4.122 |
| logSw: | -4.6048 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.569 |
| InChI Key: | JQDOZUGRIBGODU-UHFFFAOYSA-N |