4-(4-Bromobenzyl)-2-methylphenol
Basic information
- CAS
6279-14-7- Standard SMILES
Cc1cc(Cc2ccc(Br)cc2)ccc1O- InChIKey
PWQWANMTIRCFPM-UHFFFAOYSA-N- Molecular formula
- C14H13BrO
- Average molar mass
- 277.16 g/mol
- Monoisotopic mass
- 276.01498
Names & identifiers
- Preferred name
- 4-(4-Bromobenzyl)-2-methylphenol
- IUPAC
- 4-[(4-bromophenyl)methyl]-2-methylphenol
Names & synonyms
6279-14-74-(4-bromobenzyl)-2-methylphenol4-[(4-bromophenyl)methyl]-2-methylphenolNSC11177DTXSID90279066NSC-11177
Database identifiers
- CAS
6279-14-7- PubChem CID
- 223496
- DTXSID
DTXSID90279066
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
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Compound notes
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