| 2D Structure | |
| CID | 17355 |
| Target | ALDH1A1 , CYP2C19 |
| IUPAC Name | 4-phenylbutan-2-one |
| InChI | InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChI Key | AKGGYBADQZYZPD-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)CCC1=CC=CC=C1 |
| Isomeric SMILES | CC(=O)CCC1=CC=CC=C1 |
| Molecular Formula | C10H12O |
| Molecular Weight | 148.20 |
| synonyms | ['BENZYLACETONE', '4-Phenylbutan-2-one', '4-Phenyl-2-butanone', '2-Butanone, 4-phenyl-', 'Benzyl acetone', 'UNII-UZM5QH16YW', 'UZM5QH16YW', 'EINECS 219-847-4', 'BRN 1907123', 'DTXSID6033241', 'AI3-15123', 'NSC-813', '4-PHENYL BUTANONE', 'NSC-44829', 'DTXCID4013241', 'EC 219-847-4', '4-07-00-00713 (Beilstein Handbook Reference)', '1082501-60-7', '1Phenyl3butanone', '4Phenylbutan2one', '2Butanone, 4phenyl', 'Methyl 2phenylethyl ketone', 'betaPhenylethyl methyl ketone', '801-687-7', 'akggybadqzyzpd-uhfffaoysa-n', '2550-26-7', '4-Penylbutan-2-one', '1-Phenyl-3-butanone', 'Methyl phenethyl ketone', 'Phenethyl methyl ketone', 'Methyl 2-phenylethyl ketone', '4-Phenyl-butan-2-one', 'Methyl phenylethyl ketone', 'NSC 813', 'MFCD00008790', 'NSC 44829', '2-Phenylethyl methyl ketone', 'beta-Phenylethyl methyl ketone', 'CAS-2550-26-7', '4-phenylbutanone', '1-phenylbutan-3-one', 'Methyl 2-phenethyl ketone', 'SCHEMBL1346', 'MLS001055395', '4-Phenyl-2-butanone, 98%', 'NSC813', 'QSPL 147', 'CHEMBL1490851', '.beta.-Phenylethyl methyl ketone', 'CHEBI:195507', 'HMS2270M10', 'NSC44829', 'Tox21_201240', 'Tox21_303341', 'BBL011439', 's9376', 'STL146547', 'AKOS000119009', 'CCG-266189', 'CS-W016332', 'FP32146', 'HY-W015616', 'SB40570', 'NCGC00090923-01', 'NCGC00090923-02', 'NCGC00257254-01', 'NCGC00258792-01', '4-Phenyl-2-butanone, analytical standard', 'AS-54099', 'DA-51037', 'SMR000112390', 'SY013502', 'B0405', 'NS00007656', 'EN300-19146', 'A25848', 'P17497', 'Q410405', 'F0001-0855', '1-Phenyl-3-butanone;2-Butanone, 4-phenyl-;4-Phenyl-2-butanoine'] |
From Pubchem