Cas no 112718-82-8 (2-Propanol, 1-(4-chlorophenoxy)-3-phenoxy-)
112718-82-8 structure
Product Name:2-Propanol, 1-(4-chlorophenoxy)-3-phenoxy-
CAS No:112718-82-8
MF:C15H15ClO3
MW:278.730803728104
CID:1203772
PubChem ID:11818288
Update Time:2025-04-20
2-Propanol, 1-(4-chlorophenoxy)-3-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 1-(4-chlorophenoxy)-3-phenoxy-
- 1-(4-chlorophenoxy)-3-phenoxypropan-2-ol
- 112718-82-8
- SCHEMBL6938286
- DTXSID70473646
-
- Inchi： 1S/C15H15ClO3/c16-12-6-8-15(9-7-12)19-11-13(17)10-18-14-4-2-1-3-5-14/h1-9,13,17H,10-11H2
- InChI Key： WLLWXNMBWOEZMW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OCC(COC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 278.0709720g/mol
- Monoisotopic Mass: 278.0709720g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 236
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 38.7?2
2-Propanol, 1-(4-chlorophenoxy)-3-phenoxy- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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