Bis(4-acetoxycinnamyl) ether
PubChem CID: 163184089
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| Compound Synonyms | Bis(4-acetoxycinnamyl) ether, SCHEMBL23728056 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-[(E)-3-[(E)-3-(4-acetyloxyphenyl)prop-2-enoxy]prop-1-enyl]phenyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C22H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WQJYZRMAVNXXHE-GGWOSOGESA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -4.083 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.595 |
| Compound Name | Bis(4-acetoxycinnamyl) ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.212449488888889 |
| Inchi | InChI=1S/C22H22O5/c1-17(23)26-21-11-7-19(8-12-21)5-3-15-25-16-4-6-20-9-13-22(14-10-20)27-18(2)24/h3-14H,15-16H2,1-2H3/b5-3+,6-4+ |
| Smiles | CC(=O)OC1=CC=C(C=C1)/C=C/COC/C=C/C2=CC=C(C=C2)OC(=O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients