[4-methoxy-2-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (Z)-2-methylbut-2-enoate
PubChem CID: 163186177
Connections displayed (default: 10).
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| Topological Polar Surface Area | 48.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [4-methoxy-2-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SRKAZFSLCLSHPY-VZEXGFNTSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.331 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.019 |
| Compound Name | [4-methoxy-2-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (Z)-2-methylbut-2-enoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0898752105263156 |
| Inchi | InChI=1S/C15H18O4/c1-5-9(2)15(16)19-13-7-6-11(17-4)8-12(13)14-10(3)18-14/h5-8,10,14H,1-4H3/b9-5-/t10-,14+/m1/s1 |
| Smiles | C/C=C(/C)\C(=O)OC1=C(C=C(C=C1)OC)[C@@H]2[C@H](O2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Quassia Africana (Plant) Rel Props:Source_db:cmaup_ingredients