[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid
Chemical Structure Depiction of
[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid
[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid
Compound characteristics
| Compound ID: | D715-2582 |
| Compound Name: | [(3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetic acid |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C19 H15 Cl O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3709 |
| logD: | 0.1339 |
| logSw: | -4.3889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.858 |
| InChI Key: | KHCSUAMITWDROU-UHFFFAOYSA-N |