1-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
PubChem CID: 86067879
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Is Pains | False |
| Molecular Formula | C17H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CWRUTYMHYRFORU-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Rotatable Bond Count | 10.0 |
| Compound Name | 1-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.183 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 294.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.816852771428571 |
| Inchi | InChI=1S/C17H26O4/c1-3-4-5-6-7-8-14(18)12-16(20)13-9-10-15(19)17(11-13)21-2/h9-11,16,19-20H,3-8,12H2,1-2H3 |
| Smiles | CCCCCCCC(=O)CC(C1=CC(=C(C=C1)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients