3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
Chemical Structure Depiction of
3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid
Compound characteristics
| Compound ID: | R052-2238 |
| Compound Name: | 3-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}prop-2-enoic acid |
| Molecular Weight: | 236.27 |
| Molecular Formula: | C13 H16 O4 |
| Smiles: | CC(C)Oc1ccc(/C=C/C(O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.699 |
| logD: | -0.4916 |
| logSw: | -2.7858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.142 |
| InChI Key: | HCIFIHNJOLFAAX-UHFFFAOYSA-N |