2,6-Dimethylphenol
PubChem CID: 11335
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| Compound Synonyms | 2,6-DIMETHYLPHENOL, 576-26-1, 2,6-Xylenol, Phenol, 2,6-dimethyl-, 2,6-Dimethyl phenol, 2-Hydroxy-m-xylene, Vic-m-xylenol, 1-Hydroxy-2,6-dimethylbenzene, 2,6-Dmp, 2,6-Dimethyl-phenol, Xylenol 235, Dimethylphenol, 2,6-, 2-Hydroxy-1,3-dimethylbenzene, NSC 2123, FEMA No. 3249, HSDB 5697, UNII-I8N0RO87OV, EINECS 209-400-1, m-2-Xylenol, MFCD00002240, 1,3-Dimethyl-2-hydroxybenzene, DTXSID9024063, AI3-08524, FEMA 3249, 1,2,6-Xylenol, 1,3,2-Xylenol, NSC-2123, 2,6-Xylenol, 8CI, I8N0RO87OV, CHEMBL30106, 2,6-XYLENOL [FHFI], DTXCID404063, 1-Hydroxy-2, 6-dimethylbenzene, EC 209-400-1, XYLENOL 2,6-DIMETHYLPHENOL, 2,6-DIMETHYLPHENOL [HSDB], XYLENOL 2,6-DIMETHYLPHENOL [MI], METACRESOL IMPURITY D [EP IMPURITY], MEXILETINE HYDROCHLORIDE IMPURITY A [EP IMPURITY], CAS-576-26-1, METACRESOL IMPURITY D (EP IMPURITY), MEXILETINE HYDROCHLORIDE IMPURITY A (EP IMPURITY), Vicmxylenol, vic.-m-Xylenol, 2,6xylenol, 2MY, Mexiletine Hydrochloride Imp. A (EP), Mexiletine Imp. A (EP), 2,6-Dimethylphenol, Mexiletine Hydrochloride Impurity A, Mexiletine Impurity A, 2.6-xylenol, 2,6 Dimethylphenol, 2,6-di-methylphenol, Phenol, 2,6dimethyl, Phenol,2,6-dimethyl-, MEXILETINE_met014, 2,6-Dimethylphenol,(S), 1Hydroxy2,6dimethylbenzene, 2Hydroxy1,3dimethylbenzene, SCHEMBL64141, 2,6-Dimethylphenol, 99%, WLN: QR B1 F1, 2,6-Xylenol, >=99%, 26XY, NSC2123, 3f37, 3f38, CHEBI:180557, 2,6-Dimethylphenol, >=99.5%, Tox21_201274, Tox21_300157, BBL011609, BDBM50240430, STL163336, AKOS000118743, 2,6-Dimethylphenol, analytical standard, NCGC00091680-01, NCGC00091680-02, NCGC00091680-03, NCGC00254005-01, NCGC00258826-01, AC-10727, VS-02985, D0776, NS00004310, EN300-19433, 2,6-Dimethylphenol 100 microg/mL in Methanol, A806014, A831530, AB-131/40171179, Q1055852, 2,6-Dimethylphenol, PESTANAL(R), analytical standard, BENZENE,1,3-DIMETHYL,2-HYDROXY MFC8 H10 O1, BENZENE,1,3-DIMETHYL,2-HYDROXY MFC8 H10 O1, F0001-1500, Z104473832, 209-400-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | Ccccccc6O))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Phenols |
| Description | Present in whisky and coffee. Flavouring ingredient. 2,6-Dimethylphenol is found in alcoholic beverages and coffee and coffee products. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cresols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylphenol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Superclass | Benzenoids |
| Subclass | Toluenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | NXXYKOUNUYWIHA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 1-Hydroxy-2, 6-dimethylbenzene, 1-Hydroxy-2,6-dimethylbenzene, 1,3-Dimethyl-2-hydroxybenzene, 1,3,2-Xylenol, 2-Hydroxy-1,3-dimethylbenzene, 2-Hydroxy-m-xylene, 2,6-Dimethyl-phenol, 2,6-Xylenol, 8CI, Dimethylphenol, 2,6-, FEMA 3249, m-2-Xylenol, Phenol, 2,6-dimethyl-, 2,6-Xylenol, 26-Dimethyl phenol, 26-Dimethyl-phenol, 26-Dimethylphenol, 2,6-Xylenol, 8ci, 2,6-dimethyl phenol |
| Substituent Name | Nitrotoluene, O-cresol, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 2,6-Dimethylphenol |
| Kingdom | Organic compounds |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 |
| Smiles | CC1=C(C(=CC=C1)C)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Ortho cresols |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Nilagirica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1083489 - 2. Outgoing r'ship
FOUND_INto/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699162