4-[({7-[(E)-(4-Hexylphenyl)diazenyl]quinolin-6-yl}oxy)methyl]benzoic acid
Basic information
- CAS
827022-54-8- Standard SMILES
CCCCCCc1ccc(N=Nc2cc3ncccc3cc2OCc2ccc(C(=O)O)cc2)cc1- InChIKey
JELJWHHEQCBQBY-UHFFFAOYSA-N- Molecular formula
- C29H29N3O3
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.2208918
Names & identifiers
- Preferred name
- 4-[({7-[(E)-(4-Hexylphenyl)diazenyl]quinolin-6-yl}oxy)methyl]benzoic acid
- IUPAC
- 4-[[7-[(4-hexylphenyl)diazenyl]quinolin-6-yl]oxymethyl]benzoic acid
Names & synonyms
827022-54-8DTXSID108371874-[({7-[(E)-(4-Hexylphenyl)diazenyl]quinolin-6-yl}oxy)methyl]benzoic acid
Database identifiers
- CAS
827022-54-8- PubChem CID
- 71417857
- DTXSID
DTXSID10837187
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…