Basic information
- Standard SMILES
Cc1cc(OCC2(O)CCOCC2)cc(C)c1Br- InChIKey
UPYUOSHRBOYIRU-UHFFFAOYSA-N- Molecular formula
- C14H19BrO3
- Average molar mass
- 315.2 g/mol
Names & identifiers
- Preferred name
- 4-((4-Bromo-3,5-dimethylphenoxy)methyl)tetrahydro-2H-pyran-4-ol
- IUPAC
- 4-[(4-bromo-3,5-dimethylphenoxy)methyl]oxan-4-ol
Names & synonyms
4-((4-Bromo-3,5-dimethylphenoxy)methyl)tetrahydro-2H-pyran-4-ol4-[(4-Bromo-3,5-dimethylphenoxy)methyl]tetrahydro-2H-pyran-4-olSCHEMBL15262427UPYUOSHRBOYIRU-UHFFFAOYSA-NDB-1667441458654-24-4
Database identifiers
- PubChem CID
- 86697193
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 254
Related reactions
2 records
Compound notes
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