[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate
PubChem CID: 5316042
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LAAPRQODJPXAHC-WAYWQWQTSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.362 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.847 |
| Compound Name | [(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 284.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.162185342857143 |
| Inchi | InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3/b6-5- |
| Smiles | COC1=C(C=CC(=C1)/C=C\COC(=O)C2=CC=CC=C2)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients