5-Hydroxy-2-nonyl-4H-chromen-4-one
PubChem CID: 365028
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| Compound Synonyms | NSC631963, 5-Hydroxy-2-nonyl-4H-chromen-4-one, 5-hydroxy-2-nonylchromone, CHEMBL1976285, Chrom-5-ol-4-one, 2-nonyl-, SNEHYEVNOARYTM-UHFFFAOYSA-N, 5-hydroxy-2-nonyl-chromen-4-one, NSC-631963, 5-Hydroxy-2-nonyl-4H-chromen-4-one #, NCI60_010536 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-nonylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C18H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNEHYEVNOARYTM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.637 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.158 |
| Compound Name | 5-Hydroxy-2-nonyl-4H-chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 288.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.829180352380951 |
| Inchi | InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-10-14-13-16(20)18-15(19)11-9-12-17(18)21-14/h9,11-13,19H,2-8,10H2,1H3 |
| Smiles | CCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Adscendens (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Salvia Hydrangea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Trifolium Fragiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all