2',5'-Dimethoxyflavone
PubChem CID: 4231835
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| Compound Synonyms | 2',5'-DIMETHOXYFLAVONE, 74670-10-3, 2-(2,5-dimethoxyphenyl)-4H-chromen-4-one, DTXSID00401078, 4H-1-Benzopyran-4-one, 2-(2,5-dimethoxyphenyl)-, 2-(2,5-dimethoxyphenyl)chromen-4-one, 2'-5'-DIMETHOXY FLAVONE, DTXCID50351933, ZCA67010, 2-(2,5-Dimethoxy-phenyl)-chromen-4-one, DB-055898, 667-281-5 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVAMPWXEJCQAJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.196 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.049 |
| Compound Name | 2',5'-Dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.423938523809524 |
| Inchi | InChI=1S/C17H14O4/c1-19-11-7-8-15(20-2)13(9-11)17-10-14(18)12-5-3-4-6-16(12)21-17/h3-10H,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC=CC=C3O2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Primula Veris (Plant) Rel Props:Source_db:cmaup_ingredients