Cas no 5409-59-6 ((3E)-1,4-diphenylbut-3-en-2-one)
5409-59-6 structure
Product Name:(3E)-1,4-diphenylbut-3-en-2-one
CAS No:5409-59-6
MF:C16H14O
MW:222.281764507294
CID:939653
PubChem ID:5354536
Update Time:2025-04-19
(3E)-1,4-diphenylbut-3-en-2-one Chemical and Physical Properties
Names and Identifiers
-
- (3E)-1,4-diphenylbut-3-en-2-one
- (E)-1,4-diphenylbut-3-en-2-one
- (E)-1,4-diphenyl-but-3-en-2-one
- 1,4-diphenyl-3-butene-2-one
- 1,4-diphenyl-but-3-en-2-one
- AC1NS5SU
- benzyl cinnamon ketone
- benzyl styryl ketone
- NSC12495
- SureCN3759499
- 38661-84-6
- 5409-59-6
- DTXSID301304155
- 1,4-diphenylbut-3-en-2-one
- 1,4-diphenyl-3-buten-2-one
- AKOS024330768
- (3E)-1,4-diphenyl-3-buten-2-one
- SCHEMBL3759502
- QMDWBHJPUAOGHO-VAWYXSNFSA-N
- SCHEMBL3759499
- NSC-12495
-
- Inchi： 1S/C16H14O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+
- InChI Key： QMDWBHJPUAOGHO-VAWYXSNFSA-N
- SMILES： O=C(/C=C/C1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 222.10452
- Monoisotopic Mass: 222.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 3.6
Experimental Properties
- Density: 1.085
- Boiling Point: 380.1°C at 760 mmHg
- Flash Point: 145°C
- Refractive Index: 1.613
- PSA: 17.07
- LogP: 3.51160
(3E)-1,4-diphenylbut-3-en-2-one Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
5409-59-6 ((3E)-1,4-diphenylbut-3-en-2-one) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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