4-Ethyl-2-methoxy-6-methylphenol
PubChem CID: 183540
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| Compound Synonyms | 4-ethyl-2-methoxy-6-methylphenol, 120550-70-1, Phenol, 4-ethyl-2-methoxy-6-methyl-, 7FEH4UA6E9, 4-ethyl-2-methoxy-6-methyl-phenol, UNII-7FEH4UA6E9, 4-ETHYL-6-METHYLGUAIACOL, DTXSID30152905, DTXCID2075396, SCHEMBL12121960, 2-methoxy-4-ethyl-6methylphenol, YXJGWDBCRDWHLV-UHFFFAOYSA-N, 4-Ethyl-6-methyl-2-methoxyphenol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCcccOC))ccc6)C))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethyl-2-methoxy-6-methylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | YXJGWDBCRDWHLV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-methoxy-4-ethyl-6-methylphenol |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | 4-Ethyl-2-methoxy-6-methylphenol |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Gi Absorption | True |
| 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/C10H14O2/c1-4-8-5-7(2)10(11)9(6-8)12-3/h5-6,11H,4H2,1-3H3 |
| Smiles | CCC1=CC(=C(C(=C1)C)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698965