2,3-Dimethoxyphenol
PubChem CID: 78828
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| Compound Synonyms | 2,3-Dimethoxyphenol, 5150-42-5, Dimethoxyphenol, Phenol, dimethoxy-, Phenol, 2,3-dimethoxy-, 2,3-dimethoxy-phenol, 1-Hydroxy-2,3-dimethoxybenzene, Pyrogallol 1,2-dimethyl ether, dimethoxy-phenol, 2.3-Dimethoxyphenol, 25155-26-4, 2,3-dimethoxy phenol, OW147I6C84, EINECS 225-922-2, MFCD00008366, NSC 80659, NSC-80659, 1-Hydroxy-2,3-dimethoxybenzene, NSC 80659, UNII-OW147I6C84, NSC80659, Phenol,3-dimethoxy-, 2,3-di-methoxyphenol, 2,3-dim ethoxyphenol, 2, 3-dimethoxylphenol, 2,3-Dimethoxyphenol, 98%, SCHEMBL186826, DTXSID10179832, Phenol, 2,3-dimethoxy-(8CI), CHEBI:193967, AKOS015888213, Phenol, 2,3-dimethoxy-(8CI)(9CI), SY061558, TS-02053, DB-019773, CS-0150321, NS00045468, EN300-217877, Q27285874, Z1255386720, 225-922-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COccOC))cccc6O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | QSZCGGBDNYTQHH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | dimethoxyphenol |
| Esol Class | Very soluble |
| Functional Groups | cO, cOC |
| Compound Name | 2,3-Dimethoxyphenol |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| 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/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3 |
| Smiles | COC1=CC=CC(=C1OC)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
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