2,6-Dimethoxytoluene
PubChem CID: 79755
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,6-Dimethoxytoluene, 5673-07-4, 1,3-Dimethoxy-2-methylbenzene, Benzene, 1,3-dimethoxy-2-methyl-, MFCD00008374, EINECS 227-131-8, NSC 62674, NSC-62674, 3P2C6I4244, DTXSID4022230, UNII-3P2C6I4244, TOLUENE, 2,6-DIMETHOXY-, 2-Methylresorcinol, dimethyl ether, 2-METHYL-1,3-DIMETHOXYBENZENE, 2-METHYLRESORCINOL DIMETHYL ETHER, NSC62674, 2-methyl-1,3-bis(methyloxy)benzene, 2,6-Dimethoxytoluene, 98%, SCHEMBL146841, DTXCID502230, 1,3-dimethoxy-2-methyl-benzene, 1,3-Dimethoxy-2-methylbenzene #, AC8327, STL280190, AKOS015890103, FD67953, AC-25935, AS-14440, SY049238, DB-020226, CS-0153507, D2246, NS00046728, EN300-180986, Q27257835, 227-131-8 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-2-methylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C9H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPEUDBGJAVKAEE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.98 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.765 |
| Compound Name | 2,6-Dimethoxytoluene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.863332963636364 |
| Inchi | InChI=1S/C9H12O2/c1-7-8(10-2)5-4-6-9(7)11-3/h4-6H,1-3H3 |
| Smiles | CC1=C(C=CC=C1OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients