3-Bromo-4-methoxy-2,5,6-trimethylphenol
Basic information
- CAS
18910-32-2- Standard SMILES
COc1c(C)c(C)c(O)c(C)c1Br- InChIKey
CKJSBAQLECIWNO-UHFFFAOYSA-N- Molecular formula
- C10H13BrO2
- Average molar mass
- 245.11 g/mol
- Monoisotopic mass
- 244.00989
Names & identifiers
- Preferred name
- 3-Bromo-4-methoxy-2,5,6-trimethylphenol
- IUPAC
- 3-bromo-4-methoxy-2,5,6-trimethylphenol
Names & synonyms
3-bromo-4-methoxy-2,5,6-trimethylphenol18910-32-2DTXSID50304949RefChem:277466DTXCID00256080NSC168492NSC-168492
Database identifiers
- CAS
18910-32-2- PubChem CID
- 297364
- DTXSID
DTXSID50304949
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
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Compound notes
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