Cas no 89711-23-9 (Phenol, 3-ethyl-6-hexyl-5-methoxy-2,4-dimethyl-)
89711-23-9 structure
Product Name:Phenol, 3-ethyl-6-hexyl-5-methoxy-2,4-dimethyl-
CAS No:89711-23-9
MF:C17H28O2
MW:264.403025627136
CID:591786
PubChem ID:71325774
Update Time:2025-04-19
Phenol, 3-ethyl-6-hexyl-5-methoxy-2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-ethyl-6-hexyl-5-methoxy-2,4-dimethyl-
- 5-ethyl-2-hexyl-3-methoxy-4,6-dimethylphenol
- DTXSID90755052
- 89711-23-9
- 3-ETHYL-6-HEXYL-5-METHOXY-2,4-DIMETHYLPHENOL
-
- Inchi： 1S/C17H28O2/c1-6-8-9-10-11-15-16(18)12(3)14(7-2)13(4)17(15)19-5/h18H,6-11H2,1-5H3
- InChI Key： NXXDVMWPAPITMC-UHFFFAOYSA-N
- SMILES： O(C)C1C(C)=C(CC)C(C)=C(C=1CCCCCC)O
Computed Properties
- Exact Mass: 264.208930132g/mol
- Monoisotopic Mass: 264.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 241
- 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: 6
- Topological Polar Surface Area: 29.5?2
Phenol, 3-ethyl-6-hexyl-5-methoxy-2,4-dimethyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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