5-Docosyl-3-methoxy-2-methylphenol
PubChem CID: 86213877
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-docosyl-3-methoxy-2-methylphenol |
| Prediction Hob | 0.0 |
| Xlogp | 13.5 |
| Molecular Formula | C30H54O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDTSGGWIINUOER-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -5.943 |
| Rotatable Bond Count | 22.0 |
| Logd | 5.708 |
| Compound Name | 5-Docosyl-3-methoxy-2-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 446.412 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.412 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 446.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.820562 |
| Inchi | InChI=1S/C30H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-25-29(31)27(2)30(26-28)32-3/h25-26,31H,4-24H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cayratia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Liatris Spicata (Plant) Rel Props:Source_db:cmaup_ingredients