Basic information
- Standard SMILES
COc1c(Br)cc(C)cc1C(C)(C)C- InChIKey
MLHDMUNFEWJXRL-UHFFFAOYSA-N- Molecular formula
- C12H17BrO
- Average molar mass
- 257.17 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene
- IUPAC
- 1-bromo-3-tert-butyl-2-methoxy-5-methylbenzene
Names & synonyms
1-Bromo-3-tert-butyl-2-methoxy-5-methylbenzene117439-55-11-Bromo-3-(1,1-dimethylethyl)-2-methoxy-5-methylbenzeneSCHEMBL1627319MFCD219937351-Bromo-3-(t-butyl)-2-methoxy-5-methylbenZene2-methoxy-1-bromo-3-tert-butyl-5-methylbenzene1-bromo-3-(tert-butyl)-2-methoxy-5-methylbenzene
Database identifiers
- PubChem CID
- 617870
- Nikkaji
- J1.407.314K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Related reactions
5 records
Compound notes
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