2,6-Dimethylhydroquinone
PubChem CID: 69560
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| Compound Synonyms | 2,6-Dimethylhydroquinone, 654-42-2, 2,6-dimethylbenzene-1,4-diol, m-Xylohydroquinone, 1,4-Benzenediol, 2,6-dimethyl-, m-Xhq, 2,6-Xylohydroquinone, m-Xylene-2,5-diol, 2,6-Dimethyl-1,4-benzenediol, Metaxylohydroquinone, 2,6-Xyloquinol, 3,5-Dimethylhydroquinone, DMHQ, 2,6-Dimethyl-p-benzohydroquinone, MXHQ, Hydroquinone, 2,6-dimethyl-, 1,4-Dihydroxy-2,6-dimethylbenzene, NSC 36868, EINECS 211-505-2, BRN 1862397, AI3-60425, 20F4R79OM2, 2,5-Dihydroxy-m-xylene, MFCD00016466, NSC-36868, UNII-20F4R79OM2, DTXSID8060957, 2,6-dimethyl-benzene-1,4-diol, 4-06-00-05956 (Beilstein Handbook Reference), 2,6-DIMETHYL-4-HYDROXYPHENOL, 2,6-DIMETHYL-1,4-HYDROQUINONE, 2,6-Dimethylquinol, 2, 6-Xylohydroquinone, 1, 2,6-dimethyl-, Hydroquinone,6-dimethyl-, 2,6-dimethyl-hydroquinone, SCHEMBL22339, 4-hydroxy-2,6-dimethylphenol, 2,6-Dimethylhydroquinone, 8CI, CHEMBL4205770, DTXCID5044603, 2 pound not6-Dimethylhydroquinone, CHEBI:179263, 2, 6-Dimethyl-p-benzohydroquinone, 2,6-Dimethyl-1,4-benzenediol #, 2,6-dimethyl-1,4-dihydroxybenzene, NSC36868, 1.4-Dihydroxy-2,6-dimethylbenzene, AKOS006228980, CS-W004874, DS-1948, FD42991, HY-W004874, s10958, AC-15541, SY016834, DB-020242, D2667, NS00019915 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OcccC)ccc6)C))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Phenols |
| Description | Claimed isoln. from Pisum sativum (pea). 2,6-Dimethyl-1,4-benzenediol is found in pulses and common pea. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzenediols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylbenzene-1,4-diol |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.0 |
| Superclass | Benzenoids |
| Subclass | Benzenediols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGWZVZZVXOJRAQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -0.603 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.315 |
| Synonyms | 1,4-Benzenediol, 2,6-dimethyl-, 2, 6-Dimethyl-p-benzohydroquinone, 2, 6-Xylohydroquinone, 2,5-Dihydroxy-m-xylene, 2,6-Dimethyl-hydroquinone, 2,6-Dimethyl-p-benzohydroquinone, 2,6-dimethylbenzene-1,4-diol, 2,6-Dimethylhydroquinone, 2,6-Dimethylhydroquinone, 8CI, 2,6-Dimethylquinol, 2,6-Xylohydroquinone, 2,6-Xyloquinol, 3,5-Dimethylhydroquinone, DMHQ, Hydroquinone, 2, 6-dimethyl-, Hydroquinone, 2,6-dimethyl-, M-XHQ, m-Xylene-2,5-diol, m-Xylohydroquinone, Metaxylohydroquinone, MXHQ, Poly(2,6-dimethyl-1,4-phenylene oxide), 2, 6-Dimethyl-P-benzohydroquinone, 2,6-Dimethyl-P-benzohydroquinone, 2,6-Dimethylbenzene-1,4-diol, 2,6-Dimethylhydroquinone, 8ci, m-XHQ, 2,6-dimethyl-1,4-benzenediol, 2,6-dimethylhydroquinone, m-xylohydroquinone |
| Esol Class | Very soluble |
| Functional Groups | cO |
| Compound Name | 2,6-Dimethylhydroquinone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 138.16 |
| 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 |
| Esol | -1.7706292 |
| Inchi | InChI=1S/C8H10O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4,9-10H,1-2H3 |
| Smiles | CC1=CC(=CC(=C1O)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Hydroquinones |
- 1. Outgoing r'ship
FOUND_INto/from Agaricus Campestris (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1256234 - 3. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all