[8-(4-Hydroxy-3-methoxyphenyl)-6-oxooctan-4-yl] acetate
PubChem CID: 11472339
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | VCSOUOWRANCYKB-UHFFFAOYSA-N |
| Fcsp3 | 0.5294117647058824 |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | [8-(4-Hydroxy-3-methoxyphenyl)-6-oxooctan-4-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 308.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [8-(4-hydroxy-3-methoxyphenyl)-6-oxooctan-4-yl] acetate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.9254369818181822 |
| Inchi | InChI=1S/C17H24O5/c1-4-5-15(22-12(2)18)11-14(19)8-6-13-7-9-16(20)17(10-13)21-3/h7,9-10,15,20H,4-6,8,11H2,1-3H3 |
| Smiles | CCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OC(=O)C |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H24O5 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients