Chromone, 7-hydroxy-2,3-dimethyl-
PubChem CID: 5748541
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| Compound Synonyms | 7-Hydroxy-2,3-dimethylchromone, 2569-75-7, Chromone, 7-hydroxy-2,3-dimethyl-, DTXSID70180388, 7-hydroxy-2,3-dimethylchromen-4-one, 7-hydroxy-2,3-dimethyl-4H-chromen-4-one, SCHEMBL3956317, DTXCID80102879, UZYVCVUBLCTORQ-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | Occcccc6)occc6=O))C))C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1CCOC2CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2,3-dimethylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H10O3 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccccc12 |
| Inchi Key | UZYVCVUBLCTORQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 7-hydroxy-2,3-dimethylchromone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Chromone, 7-hydroxy-2,3-dimethyl- |
| Exact Mass | 190.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 190.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H10O3/c1-6-7(2)14-10-5-8(12)3-4-9(10)11(6)13/h3-5,12H,1-2H3 |
| Smiles | CC1=C(OC2=C(C1=O)C=CC(=C2)O)C |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Chromanes |
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