Basic information
- CAS
42350-99-2- Standard SMILES
CCC(C)(C)c1cc(Cl)c(O)c(C(C)(C)CC)c1- InChIKey
LWNGLBUFFUWWBH-UHFFFAOYSA-N- Molecular formula
- C16H25ClO
- Average molar mass
- 268.82 g/mol
- Monoisotopic mass
- 268.1593931
Names & identifiers
- Preferred name
- 2-Chloro-4,6-di-tert-amylphenol
- IUPAC
- 2-chloro-4,6-bis(2-methylbutan-2-yl)phenol
Names & synonyms
2-Chloro-4,6-di-tert-amylphenol2-Chloro-4,6-bis(1,1-dimethylpropyl)phenolPhenol, 2-chloro-4,6-bis(1,1-dimethylpropyl)-DTXSID80195165RefChem:258649DTXCID901176562-chloro-4,6-bis(2-methylbutan-2-yl)phenol42350-99-2
Database identifiers
- CAS
42350-99-2- PubChem CID
- 65286
- DTXSID
DTXSID80195165
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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