2,6-Dimethoxyphenol
PubChem CID: 7041
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| Compound Synonyms | 2,6-DIMETHOXYPHENOL, 91-10-1, Syringol, Pyrogallol 1,3-dimethyl ether, Phenol, 2,6-dimethoxy-, 2-Hydroxy-1,3-dimethoxybenzene, 1,3-Dimethyl pyrogallate, Aldrich, 1,3-Dimethoxy-2-hydroxybenzene, 2,6-dimethoxy phenol, 2,6-dimethoxy-phenol, 1,3-Di-o-methylpyrogallol, Pyrogallol dimethylether, 2,6-Dwumetoksyfenol, FEMA No. 3137, 2,6-Dimethoxyphenyl, MFCD00064434, 2,6-Dwumetoksyfenol [Polish], EINECS 202-041-1, UNII-4UQT464H8K, CHEBI:955, DTXSID2052607, 2,6-Dimethoxyphenol(Chunk or Granule or Flakes), 4UQT464H8K, DTXCID0031180, 2,6-DIMETHOXYPHENOL [FHFI], 2,6-DIMETHOXY PHENOL [FCC], 2,6-Dimethoxyphenol 99+%, 33-51-2, 1,3-Dimethoxy-2-hydroxybenzene, 2,6-Dimethoxyphenic acid, 2-Hydroxy-1,3-dimethoxybenzene, Pyrogallol 1,3-Dimethyl Ether, Syringol, 2,6Dwumetoksyfenol, 3DM, 2,6-dimetoxyphenol, 2,6-di-methoxyphenol, 1,3DiOmethylpyrogallol, Phenol, 2,6dimethoxy, 1,3Dimethyl pyrogallate, bmse010203, 1,3Dimethoxy2hydroxybenzene, 2Hydroxy1,3dimethoxybenzene, Pyrogallol 1,3dimethyl ether, 2,6-Dimethoxyphenol, 99%, SCHEMBL156388, CHEMBL109652, 2,6-Dimethoxyphenol (syringol), 2,6-Dimethoxyphenol (Standard), FEMA 3137, HY-W003972R, Tox21_303953, BDBM50409535, 2,6-Dimethoxyphenol, >=98%, FG, AKOS000120263, CS-W003972, FD34673, FS-1188, HY-W003972, 2,6-Dimethoxyphenol, natural, >=96%, CAS-91-10-1, 2,6-Dimethoxyphenol, analytical standard, NCGC00357187-01, BP-10363, SY018913, DB-003242, D0639, NS00010674, EN300-20299, F13351, Q421420, 2,6-Dimethoxyphenol Pyrogallol 1,3-dimethyl ether, Z104477654, 202-041-1, 25511-61-9 |
|---|---|
| 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 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | COcccccc6O))OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Description | Isolated from maople syrup. Flavouring ingredient. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18507 |
| Iupac Name | 2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.1 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KLIDCXVFHGNTTM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.25 |
| Logs | -1.553 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 1.322 |
| Synonyms | 1,3-di-O-methylpyrogallol, 1,3-Dimethoxy-2-hydroxybenzene, 1,3-Dimethyl pyrogallate, 1,3-Dimethyl pyrogallic acid, 2-Hydroxy-1,3-dimethoxybenzene, 2,6-Dimethoxy-phenol, 2,6-Dimethoxyphenol, 2,6-Dimethoxyphenol (syringol), 2,6-Dimethoxyphenyl, 2,6-Dwumetoksyfenol, Aldrich, Dimethoxyphenol, FEMA 3137, Phenol, 2,6-dimethoxy-, Pyrogallol 1,3-dimethyl ether, Pyrogallol dimethylether, Syringol, 1,3-Di-O-methylpyrogallol, 2, 6-dimethoxyphenol, 2,6-dimethoxyphenol, syringol |
| Substituent Name | M-dimethoxybenzene, Dimethoxybenzene, Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | cO, cOC |
| Compound Name | 2,6-Dimethoxyphenol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.7919593636363633 |
| Inchi | InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3 |
| Smiles | COC1=C(C(=CC=C1)OC)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
- 1. Outgoing r'ship
FOUND_INto/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Drynaria Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Euryale Ferox (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1595165 - 5. Outgoing r'ship
FOUND_INto/from Handroanthus Impetiginosus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1345 - 6. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Persicaria Bistorta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662600 - 8. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3313