4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenoxy)-
PubChem CID: 5316512
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| Compound Synonyms | 61854-35-1, 5,7-dihydroxy-2-(4-methoxyphenoxy)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenoxy)-, DTXSID30415704, DTXCID60366553 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-methoxyphenoxy)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WSSUZYJTLRZPRW-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.176 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.912 |
| Compound Name | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenoxy)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2892310181818183 |
| Inchi | InChI=1S/C16H12O6/c1-20-10-2-4-11(5-3-10)21-15-8-13(19)16-12(18)6-9(17)7-14(16)22-15/h2-8,17-18H,1H3 |
| Smiles | COC1=CC=C(C=C1)OC2=CC(=O)C3=C(C=C(C=C3O2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients