Basic information
- Standard SMILES
Cc1cc(O)c(C(C)(C)C)cc1Br- InChIKey
CRHPCQVSSQMJRM-UHFFFAOYSA-N- Molecular formula
- C11H15BrO
- Average molar mass
- 243.14 g/mol
- Monoisotopic mass
- 242.03063
Names & identifiers
- Preferred name
- 4-Bromo-2-(tert-butyl)-5-methylphenol
- IUPAC
- 4-bromo-2-tert-butyl-5-methylphenol
Names & synonyms
4-Bromo-2-(tert-butyl)-5-methylphenol51345-97-24-bromo-2-tert-butyl-5-methylphenolMFCD09907049Phenol, 4-bromo-2-(1,1-dimethylethyl)-5-methyl-4-Bromo-2-tert-butyl-5-methyl-phenolSCHEMBL3047043CRHPCQVSSQMJRM-UHFFFAOYSA-N4-bromo-2-t-butyl-5-methylphenol4-Bromo-2-(t-butyl)-5-methylphenolDB-412305CS-0127646
Show more names
F539727
Database identifiers
- PubChem CID
- 18798698
- Nikkaji
- J3.087.005K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Related reactions
12 records
Compound notes
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