2,4,5-Trimethoxyacetophenone
PubChem CID: 74560
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| Compound Synonyms | 1818-28-6, 2',4',5'-Trimethoxyacetophenone, Ethanone, 1-(2,4,5-trimethoxyphenyl)-, 1-(2,4,5-Trimethoxyphenyl)ethanone, 2,4,5-Trimethoxyacetophenone, 1-(2,4,5-Trimethoxyphenyl)ethan-1-one, I8G31M1PRD, Acetophenone, 2',4',5'-trimethoxy-, EINECS 217-333-4, UNII-I8G31M1PRD, NSC 401454, NSC-401454, DTXSID6061995, 2,5-Trimethoxyacetophenone, NSC401454, Ethanone,1-(2,4,5-trimethoxyphenyl)-, SCHEMBL7457674, CHEMBL4170502, DTXCID6035780, 1-(2,5-Trimethoxyphenyl)ethanone, AKOS017346376, FT71109, 1-(2,4,5-trimethoxy-phenyl)-ethanone, 2 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka-Trimethoxyacetophenone, 2',4',5'-Trimethoxyacetophenone, 97%, AS-86027, DB-044445, CS-0274868, NS00025982, EN300-1858407, Q63408575 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 217.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,4,5-trimethoxyphenyl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GUTMBHHLVSFJIP-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -2.285 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.712 |
| Compound Name | 2,4,5-Trimethoxyacetophenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 210.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1330197999999996 |
| Inchi | InChI=1S/C11H14O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3 |
| Smiles | CC(=O)C1=CC(=C(C=C1OC)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients