2,3,5-Trimethoxytoluene
PubChem CID: 170114
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| Compound Synonyms | 2,3,5-Trimethoxytoluene, 1,2,5-Trimethoxy-3-methylbenzene, 38790-14-6, benzene, 1,2,5-trimethoxy-3-methyl-, DTXSID40192059, SCHEMBL684136, DTXCID00114550, CHEBI:167414, 1,2,5-TRIMETHOXY-3-METHYL-BENZENE |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,5-trimethoxy-3-methylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HLFDEAPOXFIBPC-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.572 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.569 |
| Compound Name | 2,3,5-Trimethoxytoluene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 182.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 182.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4992962615384617 |
| Inchi | InChI=1S/C10H14O3/c1-7-5-8(11-2)6-9(12-3)10(7)13-4/h5-6H,1-4H3 |
| Smiles | CC1=CC(=CC(=C1OC)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients