Cas no 25762-85-0 (Phenol, 3-(1,1-dimethylethyl)-4-ethoxy-)
25762-85-0 structure
Product Name:Phenol, 3-(1,1-dimethylethyl)-4-ethoxy-
CAS No:25762-85-0
MF:C12H18O2
MW:194.270123958588
CID:1424053
PubChem ID:12423663
Update Time:2025-04-20
Phenol, 3-(1,1-dimethylethyl)-4-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(1,1-dimethylethyl)-4-ethoxy-
- 3-tert-butyl-4-ethoxyphenol
- SCHEMBL5083146
- 25762-85-0
- DTXSID90497586
-
- Inchi： 1S/C12H18O2/c1-5-14-11-7-6-9(13)8-10(11)12(2,3)4/h6-8,13H,5H2,1-4H3
- InChI Key： DAXBLCORSCMJHP-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1C(C)(C)C)O
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 172
- 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: 3.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 3-(1,1-dimethylethyl)-4-ethoxy- Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
25762-85-0 (Phenol, 3-(1,1-dimethylethyl)-4-ethoxy-) Related Products
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