4-Hydroxyphenethyl Tetradecanoate
PubChem CID: 11848618
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| Compound Synonyms | 4-hydroxyphenethyl tetradecanoate, 2-(4-hydroxyphenyl)ethyl Tetradecanoate, CHEMBL560821, 4-Hydroxyphenethyl tetradecanoic acid, 2-(4-Hydroxyphenyl)ethyl tetradecanoic acid |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 308.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)ethyl tetradecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C22H36O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYFWYOGGSVZZRU-UHFFFAOYSA-N |
| Fcsp3 | 0.6818181818181818 |
| Logs | -5.507 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.543 |
| Compound Name | 4-Hydroxyphenethyl Tetradecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1372674 |
| Inchi | InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(24)25-19-18-20-14-16-21(23)17-15-20/h14-17,23H,2-13,18-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Callicarpa Pilosissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all