2,4,6-Trimethoxyphenol
PubChem CID: 88563
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| Compound Synonyms | 2,4,6-Trimethoxyphenol, 20491-92-3, Phenol, 2,4,6-trimethoxy-, 4MJL0GD54W, EINECS 243-851-5, MFCD00017159, UNII-4MJL0GD54W, CHEMBL225314, SCHEMBL1047550, DTXSID70174469, 2,4,6-Trimethoxyphenol, AldrichCPR, AKOS006283780, FT70144, DS-18289, DB-045243, CS-0186495, NS00026642, C73882, EN300-1847749, InChI=1/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Acyl phloroglucinols |
| Deep Smiles | COcccOC))ccc6)OC)))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6-trimethoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | HSJYYLNJWGKZMD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2,4,6-trimethoxyphenol, phenol, 2,4,6-trimethoxy |
| Esol Class | Very soluble |
| Functional Groups | cO, cOC |
| Compound Name | 2,4,6-Trimethoxyphenol |
| Exact Mass | 184.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.19 |
| 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/C9H12O4/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5,10H,1-3H3 |
| Smiles | COC1=CC(=C(C(=C1)OC)O)OC |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phloroglucinols |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279