3-({4-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Chemical Structure Depiction of
3-({4-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
3-({4-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 3553-1699 |
| Compound Name: | 3-({4-[(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)methyl]-2-methoxyphenoxy}methyl)benzoic acid |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C25 H24 O8 |
| Smiles: | COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1038 |
| logD: | 1.2063 |
| logSw: | -4.4913 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.682 |
| InChI Key: | QQMCBBRBGNFNCJ-UHFFFAOYSA-N |