3-{2-chloro-5-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{2-chloro-5-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
3-{2-chloro-5-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | Y507-3291 |
| Compound Name: | 3-{2-chloro-5-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid |
| Molecular Weight: | 270.71 |
| Molecular Formula: | C13 H15 Cl O4 |
| Smiles: | CC(C)Oc1cc(c(/C=C/C(O)=O)cc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1634 |
| logD: | 0.1155 |
| logSw: | -2.8071 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.142 |
| InChI Key: | ZGFYKAZOMMOSGF-UHFFFAOYSA-N |