1-(2,6-Dihydroxyphenyl)tetradecan-1-one
PubChem CID: 586401
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4126837, 2-Myristoylresorcinol, Phen-1,3-diol, 2-tetradecanoyl-, 1-(2,6-dihydroxyphenyl)tetradecan-1-one, Dihydroxy phenyl tetradecyl ketone, UGWAIUADKLHWOS-UHFFFAOYSA-N, BDBM50274066, 1-(2,6-Dihydroxyphenyl)-1-tetradecanone # |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,6-dihydroxyphenyl)tetradecan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.7 |
| Molecular Formula | C20H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGWAIUADKLHWOS-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.8 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.586 |
| Compound Name | 1-(2,6-Dihydroxyphenyl)tetradecan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 320.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0066760782608695 |
| Inchi | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(21)20-18(22)15-13-16-19(20)23/h13,15-16,22-23H,2-12,14H2,1H3 |
| Smiles | CCCCCCCCCCCCCC(=O)C1=C(C=CC=C1O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asclepias Vestita (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Klasea Sogdiana (Plant) Rel Props:Source_db:cmaup_ingredients