4-(2,2-Dimethylpropyl)phenol
Basic information
- CAS
2316-92-9- Standard SMILES
CC(C)(C)Cc1ccc(O)cc1- InChIKey
ICTHGQKQYABWMV-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 4-(2,2-Dimethylpropyl)phenol
- IUPAC
- 4-(2,2-dimethylpropyl)phenol
- English name
- 4-(2,2-DIMETHYLPROPYL)-PHENOL
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
2316-92-94-(2,2-Dimethylpropyl)phenol4-NEOPENTYLPHENOLPhenol, 4-(2,2-dimethylpropyl)-4-(2,2-Dimethylpropyl)-phenolCHEMBL5440307t-butyl-g-methyl phenolSCHEMBL73405SCHEMBL4398792SCHEMBL6397560SCHEMBL11339256DTXSID40177740
Show more names
ICTHGQKQYABWMV-UHFFFAOYSA-N4-(2,2-dimethyl-propyl)-phenolBDBM50626013AKOS006277578AB16670H37061
Database identifiers
- CAS
2316-92-9- PubChem CID
- 75343
- DTXSID
DTXSID40177740- ChEMBL
CHEMBL5440307- Nikkaji
- J331.236D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
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Compound notes
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