Cas no 2253-69-2 (Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-(2-propenyl)-)
2253-69-2 structure
Product Name:Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-(2-propenyl)-
CAS No:2253-69-2
MF:C14H20O
MW:204.308004379272
CID:1413539
PubChem ID:15110661
Update Time:2025-04-20
Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-(2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-(2-propenyl)-
- 2-tert-butyl-4-methyl-6-prop-2-enylphenol
- 2253-69-2
- DTXSID30568360
- AKOS011653486
- SCHEMBL5462999
- 2-tert-Butyl-4-methyl-6-(prop-2-en-1-yl)phenol
-
- Inchi： 1S/C14H20O/c1-6-7-11-8-10(2)9-12(13(11)15)14(3,4)5/h6,8-9,15H,1,7H2,2-5H3
- InChI Key： ZRUOCGQIPKXQMI-UHFFFAOYSA-N
- SMILES： OC1C(CC=C)=CC(C)=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 204.1515
- Monoisotopic Mass: 204.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 214
- 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: 4.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-(2-propenyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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