1-(4-Hydroxy-3-methoxyphenyl)tetradecan-3-one
PubChem CID: 51352076
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| Compound Synonyms | [10]-Paradol, 1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one, 1-(4-Hydroxy-3-methoxyphenyl)-3-tetradecanone, SCHEMBL4881362, CHEBI:191802, XNBUKRQGYHYOOP-UHFFFAOYSA-N, DTXSID801253410, 4-Hydroxy-3-methoxyphenethyl undecyl ketone, 3-Tetradecanone, 1-(4-hydroxy-3-methoxyphenyl)-, 36700-48-8 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of Amomum melegueta (grains of paradise). [10]-Paradol is found in alcoholic beverages and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.0 |
| Molecular Formula | C21H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XNBUKRQGYHYOOP-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.927 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.527 |
| Synonyms | 1-(4-Hydroxy-3-methoxyphenyl)-3-tetradecanone |
| Compound Name | 1-(4-Hydroxy-3-methoxyphenyl)tetradecan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 334.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 334.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1312999999999995 |
| Inchi | InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h14,16-17,23H,3-13,15H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients