Basic information
- Standard SMILES
CCCCCC[C@H](O)c1cccc(Br)c1OC- InChIKey
KUULOUOOASNXSC-ZDUSSCGKSA-N- Molecular formula
- C14H21BrO2
- Average molar mass
- 301.22 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3-bromo-2-methyloxyphenyl)heptane-1-ol
- IUPAC
- (1S)-1-(3-bromo-2-methoxyphenyl)heptan-1-ol
Names & synonyms
SCHEMBL3064849KUULOUOOASNXSC-ZDUSSCGKSA-N(S)-1-(3-bromo-2-methyloxyphenyl)heptane-1-ol
Database identifiers
- PubChem CID
- 59544894
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Related reactions
2 records
Compound notes
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