Cas no 328249-41-8 (1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethoxy-)
328249-41-8 structure
Product Name:1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethoxy-
CAS No:328249-41-8
MF:C20H17IO2
MW:416.252258062363
CID:1458249
PubChem ID:71361148
Update Time:2025-04-20
1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethoxy-
- 2-iodo-1,3-bis(4-methoxyphenyl)benzene
- DTXSID00784898
- 2~2~-Iodo-1~4~,3~4~-dimethoxy-1~1~,2~1~:2~3~,3~1~-terphenyl
- 328249-41-8
-
- Inchi： 1S/C20H17IO2/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(20(18)21)15-8-12-17(23-2)13-9-15/h3-13H,1-2H3
- InChI Key： QUFZTUGEDBNSPV-UHFFFAOYSA-N
- SMILES： IC1C(=CC=CC=1C1C=CC(=CC=1)OC)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 416.02691
- Monoisotopic Mass: 416.02733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 314
- 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: 5.8
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,1':3',1''-Terphenyl, 2'-iodo-4,4''-dimethoxy- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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