methyl 2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0412 |
| Compound Name: | methyl 2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C23 H24 O6 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1ccc(c(c1)OC)OCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.0815 |
| logD: | 5.0815 |
| logSw: | -4.846 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.672 |
| InChI Key: | SUSDWZDEMREDRH-UHFFFAOYSA-N |