Cas no 25844-12-6 (Benzenemethanol,3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-)
25844-12-6 structure
Product Name:Benzenemethanol,3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-
CAS No:25844-12-6
MF:C12H18O2
MW:194.270123958588
CID:282348
PubChem ID:117649
Update Time:2025-04-19
Benzenemethanol,3-(1,1-dimethylethyl)-2-hydroxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-
- 2-tert-butyl-6-(hydroxymethyl)-4-methylphenol
- 2-Hydroxy-3-tert-butyl-5-methylbenzenemethanol
- 4-methyl-2-tert-butyl-6-hydroxym ethyl-phenol
- 25844-12-6
- SCHEMBL10245551
- OVXVAICEGAXQFZ-UHFFFAOYSA-N
- Benzenemethanol, 3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-
- DTXSID3067154
-
- Inchi： 1S/C12H18O2/c1-8-5-9(7-13)11(14)10(6-8)12(2,3)4/h5-6,13-14H,7H2,1-4H3
- InChI Key： OVXVAICEGAXQFZ-UHFFFAOYSA-N
- SMILES： OC1C(CO)=CC(C)=CC=1C(C)(C)C
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 183
- 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: 3.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
Benzenemethanol,3-(1,1-dimethylethyl)-2-hydroxy-5-methyl- Related Literature
-
Patrick Kempe,Tina L?schner,David Adner,Stefan Spange New J. Chem. 2011 35 2735
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