| CAS Number | 217074-36-7 |
| Catalog Number | AG01A29A |
| Chemical Name | 2,3-Dimethyl-6-phenoxyquinolin-4(1H)-one |
| IUPAC Name | 2,3-dimethyl-6-phenoxy-1H-quinolin-4-one |
| InChI | InChI=1S/C17H15NO2/c1-11-12(2)18-16-9-8-14(10-15(16)17(11)19)20-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,19) |
| InChI Key | OMVATZCWHRWFGZ-UHFFFAOYSA-N |
| MDL Number | MFCD22566080 |
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.3065 |
| SMILES | CC1=C(C)C(=O)C2=C(C=CC(=C2)OC2=CC=CC=C2)N1 |
| Synonyms | 2,3-dimethyl-6-phenoxy-1,4-dihydroquinolin-4-one,
217074-36-7,
2,3-Dimethyl-6-phenoxyquinolin-4(1H)-one,
ZINC37947597,
AKOS010223293,
MCULE-4113913244,
NE45374,
Z1497152787,
2,3-Dimethyl-6-phenoxy-1H-quinolin-4-one,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.312g/mol |
| Monoisotopic Mass | 265.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number