3-Methoxy-2-methyl-5-tricosylphenol
PubChem CID: 86213878
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2-methyl-5-tricosylphenol |
| Prediction Hob | 0.0 |
| Xlogp | 14.1 |
| Molecular Formula | C31H56O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGKWNSHGSZBXLH-UHFFFAOYSA-N |
| Fcsp3 | 0.8064516129032258 |
| Logs | -7.383 |
| Rotatable Bond Count | 23.0 |
| Logd | 5.311 |
| Compound Name | 3-Methoxy-2-methyl-5-tricosylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 460.428 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 460.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.177524854545457 |
| Inchi | InChI=1S/C31H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28(2)31(27-29)33-3/h26-27,32H,4-25H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCC1=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