Cas no 88640-67-9 (Phenol, 3-butyl-5-methoxy-)
Phenol, 3-butyl-5-methoxy- structure
Product Name:Phenol, 3-butyl-5-methoxy-
CAS No:88640-67-9
MF:C11H16O2
MW:180.243543624878
CID:625853
PubChem ID:12836529
Update Time:2025-04-19
Phenol, 3-butyl-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-butyl-5-methoxy-
- 3-butyl-5-methoxyphenol
- 88640-67-9
- DTXSID40511105
-
- Inchi： 1S/C11H16O2/c1-3-4-5-9-6-10(12)8-11(7-9)13-2/h6-8,12H,3-5H2,1-2H3
- InChI Key： SVMOUQOWNUSFDE-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=CC(=C1)CCCC)O
Computed Properties
- Exact Mass: 180.115029749g/mol
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 3.4
- Topological Polar Surface Area: 29.5?2
Phenol, 3-butyl-5-methoxy- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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