2,6-Di-tert-butyl-4-(1-chloroethyl)phenol
Basic information
- CAS
7050-91-1- Standard SMILES
CC(Cl)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
LLDDCXQNMCDAMW-UHFFFAOYSA-N- Molecular formula
- C16H25ClO
- Average molar mass
- 268.82 g/mol
- Monoisotopic mass
- 268.1593931
Names & identifiers
- Preferred name
- 2,6-Di-tert-butyl-4-(1-chloroethyl)phenol
- IUPAC
- 2,6-ditert-butyl-4-(1-chloroethyl)phenol
Names & synonyms
7050-91-12,6-Di-tert-butyl-4-(1-chloroethyl)phenolSCHEMBL10821958DTXSID20607333LLDDCXQNMCDAMW-UHFFFAOYSA-N2,6-di-t-butyl-4-(alpha-chloro)ethylphenol
Database identifiers
- CAS
7050-91-1- PubChem CID
- 20451998
- DTXSID
DTXSID20607333
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Related reactions
2 records
Compound notes
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