5-Henicosyl-3-methoxy-2-methylphenol
PubChem CID: 86213863
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-henicosyl-3-methoxy-2-methylphenol |
| Prediction Hob | 0.0 |
| Xlogp | 13.0 |
| Molecular Formula | C29H52O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XAYONXRKXNZQNH-UHFFFAOYSA-N |
| Fcsp3 | 0.7931034482758621 |
| Logs | -7.247 |
| Rotatable Bond Count | 21.0 |
| Logd | 5.215 |
| Compound Name | 5-Henicosyl-3-methoxy-2-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 432.397 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 432.397 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 432.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.463870406451614 |
| Inchi | InChI=1S/C29H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26(2)29(25-27)31-3/h24-25,30H,4-23H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Alboviolaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cayratia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Liatris Spicata (Plant) Rel Props:Source_db:cmaup_ingredients