3-({2-methoxy-4-[(2-methyl-4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
3-({2-methoxy-4-[(2-methyl-4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
3-({2-methoxy-4-[(2-methyl-4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5302-0031 |
| Compound Name: | 3-({2-methoxy-4-[(2-methyl-4,6-dioxo-2-phenyl-1,3-dioxan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 474.47 |
| Molecular Formula: | C27 H22 O8 |
| Smiles: | CC1(c2ccccc2)OC(C(=Cc2ccc(c(c2)OC)OCc2cccc(c2)C(O)=O)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7103 |
| logD: | 1.8127 |
| logSw: | -4.7693 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.429 |
| InChI Key: | IMDCKZUOGLOHLP-UHFFFAOYSA-N |