2,4,5-Trimethoxyphenol
PubChem CID: 12445134
Connections displayed (default: 10).
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| Compound Synonyms | 2,4,5-TRIMETHOXYPHENOL, 20491-91-2, Asarylalkohol, MFCD17015434, SCHEMBL1402467, QUPHIMRKLSEULX-UHFFFAOYSA-N, NSC818361, STL576785, AKOS022641540, NSC-818361, AS-57806, DB-010032, CS-0036238, W12391 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,5-trimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C9H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QUPHIMRKLSEULX-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.329 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.894 |
| Compound Name | 2,4,5-Trimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3540226615384614 |
| Inchi | InChI=1S/C9H12O4/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5,10H,1-3H3 |
| Smiles | COC1=CC(=C(C=C1O)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Endiandra Xanthocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helichrysum Subulifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hemsleya Graciliflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Senna Lindheimeriana (Plant) Rel Props:Source_db:cmaup_ingredients