4-(2,3-Dimethylbutan-2-yl)phenol
Basic information
- CAS
4128-07-8- Standard SMILES
CC(C)C(C)(C)c1ccc(O)cc1- InChIKey
FPMWFZBBAILIGJ-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 4-(2,3-Dimethylbutan-2-yl)phenol
- IUPAC
- 4-(2,3-dimethylbutan-2-yl)phenol
Names & synonyms
4-(2,3-dimethylbutan-2-yl)phenol4128-07-8NSC11279SCHEMBL1773215DTXSID40961545FPMWFZBBAILIGJ-UHFFFAOYSA-NNSC-11279STK585803AKOS005508880
Database identifiers
- CAS
4128-07-8- PubChem CID
- 223544
- DTXSID
DTXSID40961545
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
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