5,7-Dihydroxy-2-isopropylchromone
PubChem CID: 25243493
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| Compound Synonyms | 5,7-Dihydroxy-2-isopropylchromone, 96552-59-9, 5,7-dihydroxy-2-propan-2-ylchromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(1-methylethyl)-, 5,7-Dihydroxy-2-(1-methylethyl)-4H-1-benzopyran-4-one, CHEMBL4467860, SCHEMBL17949776, 5,7-dihydroxy-2-isopropylchromon, WDA55259, AKOS022184709, FS-9206, DB-332784, 5,7-DIHYDROXY-2-ISOPROPYLCHROMEN-4-ONE |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-propan-2-ylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C12H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGFBRVLVWZEEIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.793 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.262 |
| Compound Name | 5,7-Dihydroxy-2-isopropylchromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 220.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6917888 |
| Inchi | InChI=1S/C12H12O4/c1-6(2)10-5-9(15)12-8(14)3-7(13)4-11(12)16-10/h3-6,13-14H,1-2H3 |
| Smiles | CC(C)C1=CC(=O)C2=C(C=C(C=C2O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Elodeoides (Plant) Rel Props:Source_db:cmaup_ingredients