Cas no 54794-99-9 (1,1'-Biphenyl, 4'-chloro-3-methoxy-5-methyl-)
54794-99-9 structure
Product Name:1,1'-Biphenyl, 4'-chloro-3-methoxy-5-methyl-
CAS No:54794-99-9
MF:C14H13ClO
MW:232.705423116684
CID:353659
PubChem ID:12648514
Update Time:2025-04-19
1,1'-Biphenyl, 4'-chloro-3-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4'-chloro-3-methoxy-5-methyl-
- 1-(4-chlorophenyl)-3-methoxy-5-methylbenzene
- 54794-99-9
- DTXSID10505637
- 4'-Chloro-3-methoxy-5-methyl-1,1'-biphenyl
- SCHEMBL21586162
-
- Inchi： 1S/C14H13ClO/c1-10-7-12(9-14(8-10)16-2)11-3-5-13(15)6-4-11/h3-9H,1-2H3
- InChI Key： UIJJYZMOPKUBDF-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1=CC(=CC(C)=C1)OC
Computed Properties
- Exact Mass: 232.06559
- Monoisotopic Mass: 232.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 211
- 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: 4.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1,1'-Biphenyl, 4'-chloro-3-methoxy-5-methyl- Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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