2,6-Dimethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenol
PubChem CID: 132499752
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| Compound Synonyms | CHEMBL4103233 |
|---|---|
| Topological Polar Surface Area | 79.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C13H15NO3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | MASPXGQYJJGYNQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -2.862 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.236 |
| Compound Name | 2,6-Dimethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 265.077 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.077 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 265.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.500293022222222 |
| Inchi | InChI=1S/C13H15NO3S/c1-8-14-7-10(18-8)4-9-5-11(16-2)13(15)12(6-9)17-3/h5-7,15H,4H2,1-3H3 |
| Smiles | CC1=NC=C(S1)CC2=CC(=C(C(=C2)OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients