5-(10-Pentadecenyl)resorcinol
PubChem CID: 123734995
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| Compound Synonyms | 5-(10-Pentadecenyl)resorcinol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-pentadec-10-enylbenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 8.1 |
| Molecular Formula | C21H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGXAZEDJUHQDEM-UHFFFAOYSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -3.935 |
| Rotatable Bond Count | 13.0 |
| Logd | 3.416 |
| Compound Name | 5-(10-Pentadecenyl)resorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 318.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.2653496782608675 |
| Inchi | InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h5-6,16-18,22-23H,2-4,7-15H2,1H3 |
| Smiles | CCCCC=CCCCCCCCCCC1=CC(=CC(=C1)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rabdosia Eriocalyx (Plant) Rel Props:Source_db:cmaup_ingredients