(Z)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one
PubChem CID: 12315512
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| Compound Synonyms | SCHEMBL10523393 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OQWKEEOHDMUXEO-FPLPWBNLSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -3.633 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.452 |
| Compound Name | (Z)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6952312 |
| Inchi | InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7- |
| Smiles | CCCCC/C=C\C(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all