Cas no 56268-57-6 (Phenol, 2-(1-isoquinolinyl)-)
Phenol, 2-(1-isoquinolinyl)- structure
Product Name:Phenol, 2-(1-isoquinolinyl)-
CAS No:56268-57-6
MF:C15H11NO
MW:221.253943681717
CID:349366
PubChem ID:135749078
Update Time:2025-04-19
Phenol, 2-(1-isoquinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1-isoquinolinyl)-
- 6-(2H-isoquinolin-1-ylidene)cyclohexa-2,4-dien-1-one
- 56268-57-6
- 6-(Isoquinolin-1(2H)-ylidene)cyclohexa-2,4-dien-1-one
- SCHEMBL5488146
- 1-(o-Oxyphenyl)-isochinolin
- DTXSID20727343
-
- Inchi： 1S/C15H11NO/c17-14-8-4-3-7-13(14)15-12-6-2-1-5-11(12)9-10-16-15/h1-10,17H
- InChI Key： WXAWFBWPWZKVHA-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C1C2C=CC=CC=2C=CN=1
Computed Properties
- Exact Mass: 221.08413
- Monoisotopic Mass: 221.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 255
- 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: 3.4
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.12
Phenol, 2-(1-isoquinolinyl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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