Anisole, p-undecyl-
PubChem CID: 578720
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Anisole, p-undecyl-, Benzene, 1-methoxy-4-undecyl-, DTXSID00342114, 20056-64-8, 1-Methoxy-4-undecylbenzene #, DTXCID20293194 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCCCCCCCCcccccc6))OC |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-undecylbenzene |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H30O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | NBQNHOLVIKSXDR-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 11.0 |
| Synonyms | p-undecylanisole |
| Esol Class | Moderately soluble |
| Functional Groups | cOC |
| Compound Name | Anisole, p-undecyl- |
| Exact Mass | 262.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.23 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 262.4 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H30O/c1-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19-2)16-14-17/h13-16H,3-12H2,1-2H3 |
| Smiles | CCCCCCCCCCCC1=CC=C(C=C1)OC |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699135