Basic information
- Standard SMILES
CCCCCCCCc1ccc(OCC(O)CBr)cc1- InChIKey
IYVHUOCWPZQZNP-UHFFFAOYSA-N- Molecular formula
- C17H27BrO2
- Average molar mass
- 343.3 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-3-(4-octylphenoxy)propan-2-ol
- IUPAC
- 1-bromo-3-(4-octylphenoxy)propan-2-ol
Names & synonyms
1-bromo-3-(4-octylphenoxy)propan-2-olSCHEMBL3929491IYVHUOCWPZQZNP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11617112
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 215
Related reactions
2 records
Compound notes
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