2-Methyl-6-phenyl-4H-pyran-4-one
PubChem CID: 120521
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| Compound Synonyms | 2-Methyl-6-phenyl-4H-pyran-4-one, 2-methyl-6-phenylpyran-4-one, 1013-99-6, 4H-Pyran-4-one, 2-methyl-6-phenyl-, BRN 0132973, L-16876, DTXSID10143831, 5-17-10-00304 (Beilstein Handbook Reference), 4-Pyrone, 2-methyl-6-phenyl-, 2-Methyl-6-phenyl-gamma-pyrone, DTXCID5066322, SCHEMBL11085896, 2-Methyl-6-phenyl-.gamma.-pyrone, NS00014418, AR-360/33580027, SR-01000391838, SR-01000391838-1, Q63398592 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-phenylpyran-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C12H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PEYODCCEJQCEBL-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 2-Methyl-6-phenyl-4H-pyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 186.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 186.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5690877142857143 |
| Inchi | InChI=1S/C12H10O2/c1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10/h2-8H,1H3 |
| Smiles | CC1=CC(=O)C=C(O1)C2=CC=CC=C2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients