4-Methyl-2,6-dimethoxyphenol
PubChem CID: 240925
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| Compound Synonyms | 2,6-Dimethoxy-4-methylphenol, 6638-05-7, 4-Methyl-2,6-dimethoxyphenol, 4-Methylsyringol, Phenol, 2,6-dimethoxy-4-methyl-, 2,6-Dimethoxy-p-cresol, 3,5-Dimethoxy-4-hydroxytoluene, p-Cresol, 2,6-dimethoxy-, 4-Hydroxy-3,5-dimethoxytoluene, FJJ5MYE75W, FEMA No. 3704, UNII-FJJ5MYE75W, MFCD00017289, NSC-47901, 1-Methyl-3,5-dimethoxy-4-hydroxybenzene, 2,6-DIMETHOXY-4-CRESOL, DTXSID10216599, EINECS 229-641-6, NSC 47901, 4-METHYL-2,6-DIMETHOXYPHENOL [FHFI], 2,6-dimethoxy-4-methyl-phenol, Syringol, 4-methyl, SCHEMBL562147, CHEMBL205268, FEMA 3704, DTXCID90139090, 3,5-Dimethoxy-4-hydroxy-toluene, CHEBI:172423, Phenol, 4-methyl-2,6-dimethoxy, NSC47901, 2,6-Dimethoxy-4-methylphenol, 9CI, 4-Methyl-2,6-dimethoxyphenol, 97%, AKOS000120559, FD41549, HY-W100715, 4-Methyl-2,6-dimethoxyphenol, >=97%, AS-17263, SY035503, DB-020219, CS-0153357, D2591, NS00022641, EN300-18157, 4-Methyl-2,6-dimethoxyphenol (4-methylsyringol), Q27278026, Z57234306, UB9 |
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| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | Present in smoked fish and pork. Flavouring ingredient. 2,6-Dimethoxy-4-methylphenol is found in fishes and animal foods. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 124.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethoxy-4-methylphenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.9 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C9H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZFBNNSOJNZBLLS-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.957 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 1.765 |
| Synonyms | 2,6-Dimethoxy-4-methyl-phenol, 2,6-Dimethoxy-4-methylphenol, 9CI, 2,6-Dimethoxy-p-cresol, 4-methyl-2,6-dimethoxyphenol, 4-Methyl-2,6-dimethoxyphenol (4-methylsyringol), 4-Methylsyringol, FEMA 3704, Phenol, 2,6-dimethoxy-4-methyl-, Phenol, 4-methyl-2,6-dimethoxy, Syringol, 4-methyl, 2,6-Dimethoxy-4-methylphenol, 9ci, 2,6-Dimethoxy-P-cresol, 4-Methyl-2,6-dimethoxyphenol |
| Substituent Name | M-dimethoxybenzene, Dimethoxybenzene, Methoxyphenol, Nitrotoluene, Methoxybenzene, Phenol ether, P-cresol, Anisole, Toluene, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Compound Name | 4-Methyl-2,6-dimethoxyphenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 168.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.2988904 |
| Inchi | InChI=1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3 |
| Smiles | CC1=CC(=C(C(=C1)OC)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methoxyphenols |
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