Cas no 809231-58-1 (Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)-)
809231-58-1 structure
Product Name:Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)-
CAS No:809231-58-1
MF:C16H14O
MW:222.281764507294
CID:715139
PubChem ID:11264536
Update Time:2025-04-19
Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)-
- 4-methoxy-2-methyl-1-(2-phenylethynyl)benzene
- Benzene, 4-methoxy-2-methyl-1-(phenylethynyl)- (9CI)
- DTXSID30460517
- 809231-58-1
- 4-Methoxy-2-methyl-1-(phenylethynyl)benzene
- AG-H-25418
-
- Inchi： 1S/C16H14O/c1-13-12-16(17-2)11-10-15(13)9-8-14-6-4-3-5-7-14/h3-7,10-12H,1-2H3
- InChI Key： JQTCCZCIZRDVQQ-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C#CC2C=CC=CC=2)=C(C)C=1
Computed Properties
- Exact Mass: 222.104465066g/mol
- Monoisotopic Mass: 222.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 289
- 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: 4.3
- Topological Polar Surface Area: 9.2?2
Benzene,4-methoxy-2-methyl-1-(2-phenylethynyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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