Cas no 17269-96-4 (Phenol, 2-butyl-6-methyl-)
Phenol, 2-butyl-6-methyl- structure
Product Name:Phenol, 2-butyl-6-methyl-
CAS No:17269-96-4
MF:C11H16O
MW:164.244143486023
CID:1355363
PubChem ID:15570435
Update Time:2025-04-20
Phenol, 2-butyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-butyl-6-methyl-
- 2-butyl-6-methylphenol
- SCHEMBL21838
- 17269-96-4
- DTXSID50574549
-
- Inchi： 1S/C11H16O/c1-3-4-7-10-8-5-6-9(2)11(10)12/h5-6,8,12H,3-4,7H2,1-2H3
- InChI Key： KUNNUNBSGQSGDY-UHFFFAOYSA-N
- SMILES： OC1C(C)=CC=CC=1CCCC
Computed Properties
- Exact Mass: 164.12018
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 122
- 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: 3.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2-butyl-6-methyl- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
17269-96-4 (Phenol, 2-butyl-6-methyl-) Related Products
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