[6-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
PubChem CID: 11335888
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-hydroxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Is Pains | False |
| Molecular Formula | C17H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKJFEUMJGJLNNK-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Rotatable Bond Count | 10.0 |
| Compound Name | [6-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.178 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 310.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2592361818181823 |
| Inchi | InChI=1S/C17H26O5/c1-4-5-15(22-12(2)18)11-14(19)8-6-13-7-9-16(20)17(10-13)21-3/h7,9-10,14-15,19-20H,4-6,8,11H2,1-3H3 |
| Smiles | CCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)OC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients