Cas no 20698-95-7 (1-Butanone, 1,3-diphenyl-, (3S)-)
20698-95-7 structure
Product Name:1-Butanone, 1,3-diphenyl-, (3S)-
CAS No:20698-95-7
MF:C16H16O
MW:224.297644615173
CID:1399566
PubChem ID:1208390
Update Time:2025-04-20
1-Butanone, 1,3-diphenyl-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1,3-diphenyl-, (3S)-
- (S)-3-methyl-1,3-diphenyl-1-propanone
- 20698-95-7
- DTXSID001309401
- (3S)-1,3-Diphenyl-1-butanone
- (R,S)-1,3-Diphenyl-butan-1-one
-
- Inchi： 1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m0/s1
- InChI Key： GIVFXLVPKFXTCU-ZDUSSCGKSA-N
- SMILES： O=C(C1C=CC=CC=1)C[C@H](C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 224.12018
- Monoisotopic Mass: 224.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 234
- 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: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Butanone, 1,3-diphenyl-, (3S)- Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
20698-95-7 (1-Butanone, 1,3-diphenyl-, (3S)-) Related Products
- 712-50-5(cyclohexyl(phenyl)methanone)
- 3375-38-0(1,6-Diphenyl-1,6-hexanedione)
- 1671-75-6(1-Phenyl-1-heptanone)
- 1083-30-3(3-Phenylpropiophenone)
- 16282-16-9(1,2-Diphenylbutan-1-one)
- 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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