5-(n-Nonadecyl)resorcinol
PubChem CID: 161858
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| Compound Synonyms | 5-Nonadecylresorcinol, 35176-46-6, 5-nonadecylbenzene-1,3-diol, 5-Nonadecyl-1,3-benzenediol, 5-(n-Nonadecyl)resorcinol, 1,3-Benzenediol,5-nonadecyl-, 5-N-Nonadecylresorcinol, 1,3-Benzenediol, 5-nonadecyl-, 1,3-DIHYDROXY-5-NONADECYLBENZEN, DTXSID50188665, 1,3-Dihydroxy-5-nonadecylbenzene, Resorcinol, 5-nonadecyl-, 9TFB3399XD, SCHEMBL2178058, CHEMBL1795549, DTXCID10111156, CHEBI:172608, KBA17646, LMPK15030004, AKOS040761182, 5-Nonadecylresorcinol, analytical standard, DB-225916, HY-113242, CS-0059391, NS00077047, NCGC00385749-01!5-nonadecylbenzene-1,3-diol, 664-053-7 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Description | Constituent of wheat bran. 5-Nonadecyl-1,3-benzenediol is found in many foods, some of which are common wheat, pasta, wheat bread, and oat. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-nonadecylbenzene-1,3-diol |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 11.2 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C25H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PUNOCEUUYUXUGR-UHFFFAOYSA-N |
| Fcsp3 | 0.76 |
| Logs | -4.064 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.857 |
| Synonyms | 1,3-Benzenediol, 5-nonadecyl-, 1,3-Dihydroxy-5-nonadecylbenzene, 5-(n-nonadecyl)resorcinol, 5-Nonadecylresorcinol |
| Substituent Name | Resorcinol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | 5-(n-Nonadecyl)resorcinol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 376.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.220119444444444 |
| Inchi | InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Secale Cereale (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Triticum Durum (Plant) Rel Props:Source_db:npass_chem_all