Cas no 62557-95-3 (1-Butanone, 3-(4-methylphenyl)-1-phenyl-)
62557-95-3 structure
Product Name:1-Butanone, 3-(4-methylphenyl)-1-phenyl-
CAS No:62557-95-3
MF:C17H18O
MW:238.324224948883
CID:440262
PubChem ID:12330439
Update Time:2025-04-19
1-Butanone, 3-(4-methylphenyl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 3-(4-methylphenyl)-1-phenyl-
- 3-(4-methylphenyl)-1-phenylbutan-1-one
- DTXSID00490487
- 62557-95-3
-
- Inchi： 1S/C17H18O/c1-13-8-10-15(11-9-13)14(2)12-17(18)16-6-4-3-5-7-16/h3-11,14H,12H2,1-2H3
- InChI Key： WQCMLLAXVCVZEB-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)CC(C)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 238.13584
- Monoisotopic Mass: 238.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Butanone, 3-(4-methylphenyl)-1-phenyl- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
62557-95-3 (1-Butanone, 3-(4-methylphenyl)-1-phenyl-) Related Products
- 712-50-5(cyclohexyl(phenyl)methanone)
- 3375-38-0(1,6-Diphenyl-1,6-hexanedione)
- 1671-75-6(1-Phenyl-1-heptanone)
- 120-46-7(Dibenzoylmethane)
- 1083-30-3(3-Phenylpropiophenone)
- 13211-01-3(1-1,1'-Biphenyl-4-yl-1-butanone)
- 1009-14-9(Valerophenone)
- 1671-77-8(4’-Methylvalerophenone)
- 495-40-9(N-Butyrophenone)
- 495-71-6(1,2-Dibenzoylethane)
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