Cas no 18673-04-6 (1-Propanol, 3-(4-chlorophenoxy)-)
18673-04-6 structure
Product Name:1-Propanol, 3-(4-chlorophenoxy)-
CAS No:18673-04-6
MF:C9H11ClO2
MW:186.635442018509
CID:96111
PubChem ID:10081151
Update Time:2025-04-18
1-Propanol, 3-(4-chlorophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanol, 3-(4-chlorophenoxy)-
- 3-(4-chlorophenoxy)propan-1-ol
- DTXSID30435260
- AKOS005363342
- 3-(4-chlorophenoxy)-1-propanol
- DMCGTVJRKBBDNM-UHFFFAOYSA-N
- SCHEMBL4383977
- CHEMBL3277212
- 18673-04-6
- A813078
-
- Inchi： 1S/C9H11ClO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,11H,1,6-7H2
- InChI Key： DMCGTVJRKBBDNM-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OCCCO
Computed Properties
- Exact Mass: 186.04500
- Monoisotopic Mass: 186.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 111
- 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: 2.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46000
- LogP: 2.10120
1-Propanol, 3-(4-chlorophenoxy)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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