2-Methylchromone
PubChem CID: 252690
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| Compound Synonyms | 2-Methylchromone, 5751-48-4, 2-Methyl-4H-chromen-4-one, 2-methyl-4H-1-benzopyran-4-one, Chromone, 2-methyl-, 2-methylchromen-4-one, 2-Methyl-4-chromone, 4H-1-Benzopyran-4-one, 2-methyl-, 2-Methyl-4-oxochromene, MFCD00086982, NSC-74869, NSC-660048, V7V3QT2MW3, DTXSID80291313, NSC660048, NSC74869, 2-Methyl-chromen-4-one, UNII-V7V3QT2MW3, SCHEMBL123427, CHEMBL175591, 2-Methyl-4H-chromen-4-one #, DTXCID90242457, CCG-53313, AKOS006237404, BS-17676, SY287840, DB-261335, CS-0149538, D80480, SR-01000642483-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Np Classifier Class | Chromones |
| Deep Smiles | Cccc=O)cco6)cccc6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1CCOC2CCCCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylchromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8O2 |
| Scaffold Graph Node Bond Level | O=c1ccoc2ccccc12 |
| Inchi Key | PXPNSQMWVPLERM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-me-chromone, 2-methylchromone |
| Esol Class | Soluble |
| Functional Groups | c=O, coc |
| Compound Name | 2-Methylchromone |
| Exact Mass | 160.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 160.17 |
| 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/C10H8O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3 |
| Smiles | CC1=CC(=O)C2=CC=CC=C2O1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Chromanes |
- 1. Outgoing r'ship
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