Cas no 799279-10-0 (Ethanone,2-hydroxy-2-(4-methylphenyl)-1-phenyl-, (2S)-)
799279-10-0 structure
Product Name:Ethanone,2-hydroxy-2-(4-methylphenyl)-1-phenyl-, (2S)-
CAS No:799279-10-0
MF:C15H14O2
MW:226.270464420319
CID:556808
PubChem ID:45097952
Update Time:2025-04-19
Ethanone,2-hydroxy-2-(4-methylphenyl)-1-phenyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone,2-hydroxy-2-(4-methylphenyl)-1-phenyl-, (2S)-
- Ethanone, 2-hydroxy-2-(4-methylphenyl)-1-phenyl-, (2S)- (9CI)
- Ethanone,2-hydroxy-2-(4-methylphenyl)-1-phenyl-,(2S)-(9ci)
- 799279-10-0
- (2S)-2-Hydroxy-2-(4-methylphenyl)-1-phenylethanone
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- Inchi： 1S/C15H14O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-10,15,17H,1H3/t15-/m0/s1
- InChI Key： ZCXVYFZJKVHMJO-HNNXBMFYSA-N
- SMILES： O[C@H](C(C1C=CC=CC=1)=O)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 226.09900
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 2.91130
Ethanone,2-hydroxy-2-(4-methylphenyl)-1-phenyl-, (2S)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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