Cas no 86445-79-6 (Phenol, 2-(1,1-dimethylethyl)-6-iodo-4-methyl-)
86445-79-6 structure
Product Name:Phenol, 2-(1,1-dimethylethyl)-6-iodo-4-methyl-
CAS No:86445-79-6
MF:C11H15IO
MW:290.140675783157
CID:1862151
PubChem ID:12857385
Update Time:2025-04-21
Phenol, 2-(1,1-dimethylethyl)-6-iodo-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1,1-dimethylethyl)-6-iodo-4-methyl-
- 86445-79-6
- 2-(tert-butyl)-6-iodo-4-methylphenol
- SCHEMBL4857989
-
- Inchi： 1S/C11H15IO/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,13H,1-4H3
- InChI Key： NFMLDHUGPFNDLW-UHFFFAOYSA-N
- SMILES： IC1C=C(C)C=C(C=1O)C(C)(C)C
Computed Properties
- Exact Mass: 290.01676Da
- Monoisotopic Mass: 290.01676Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 173
- 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: 4.3
- Topological Polar Surface Area: 20.2?2
Phenol, 2-(1,1-dimethylethyl)-6-iodo-4-methyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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