2,5-Dimethoxytoluene
PubChem CID: 90552
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| Compound Synonyms | 2,5-Dimethoxytoluene, 24599-58-4, 1,4-Dimethoxy-2-methylbenzene, Benzene, 1,4-dimethoxy-2-methyl-, Toluene, 2,5-dimethoxy-, 2-Methylhydroquinone dimethyl ether, Methyl hydroquinone dimethyl ester, QK260AXY6T, EINECS 246-343-1, 2-Methyl-1,4-bis(methyloxy)benzene, MFCD00041901, UNII-QK260AXY6T, NSC 149950, NSC-149950, 2-methyl-1,4-dimethoxybenzene, DTXSID5067005, Methylhydroquinone, dimethyl ether, 1-METHYL-2,5-DIMETHOXYBENZENE, 1,4-Di(methoxy-d3)-2-methyl-benzene, METHYLHYDROQUINONE DIMETHYL ETHER, 2,5-dimethoxy toluene, SCHEMBL82486, 2,5-Dimethoxytoluene, 99%, Benzene,4-dimethoxy-2-methyl-, DTXCID5037105, NSC149950, AKOS015889856, AC-25934, AS-19103, DB-046500, CS-0153182, D2552, NS00027701, EN300-123757, F11429, 246-343-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COcccccc6)C))OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxybenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 114.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethoxy-2-methylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | IQISOVKPFBLQIQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,5-dimethoxytoluene |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 2,5-Dimethoxytoluene |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.19 |
| 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/C9H12O2/c1-7-6-8(10-2)4-5-9(7)11-3/h4-6H,1-3H3 |
| Smiles | CC1=C(C=CC(=C1)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Europaeum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700038