Cas no 73758-48-2 (1,4-diphenylbut-2-yn-1-one)
1,4-diphenylbut-2-yn-1-one structure
Product Name:1,4-diphenylbut-2-yn-1-one
CAS No:73758-48-2
MF:C16H12O
MW:220.265884399414
CID:1765995
PubChem ID:3056380
Update Time:2025-04-21
1,4-diphenylbut-2-yn-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1,4-diphenylbut-2-yn-1-one
- 1,4-Diphenyl-2-butyn-1-one
- 2-Butynophenone, 4-phenyl-
- Tetrolophenone, 4-phenyl-
- 73758-48-2
- BRN 2451162
- DTXSID70224110
- 4-Phenyl-2-butynophenone
- SCHEMBL19879778
-
- Inchi： 1S/C16H12O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,10H2
- InChI Key： JNAODAVKYBPIAG-UHFFFAOYSA-N
- SMILES： O=C(C#CCC1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 220.088815002g/mol
- Monoisotopic Mass: 220.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 305
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 17.1?2
1,4-diphenylbut-2-yn-1-one Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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