Basic information
- CAS
55066-81-4- Standard SMILES
CCCCCCc1cccc(O)c1-c1cc(C(=O)O)c2cccc(O)c2n1- InChIKey
HXXYPJMFFRRZKX-UHFFFAOYSA-N- Molecular formula
- C22H23NO4
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.16270821
Overview
structure
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-5-n-hexylphenyl)-8-quinolinol-4-carboxylic acid
- IUPAC
- 2-(2-hexyl-6-hydroxyphenyl)-8-hydroxyquinoline-4-carboxylic acid
- English name
- 2-(2-hydroxy-5-n-hexylphenyl)-8-quinolinol-4-carboxylic acid
- Molecular formula
- C22H23NO4
- Molecular weight
- 365.42
Names & synonyms
2-(2-Hydroxy-5-n-hexylphenyl)-8-quinolinol-4-carboxylic acid2-(5-Hexyl-2-hydroxyphenyl)-8-hydroxy-4-quinolinecarboxylic acidRefChem:8406955066-81-4CINCHONINIC ACID, 2-(5-HEXYL-2-HYDROXYPHENYL)-8-HYDROXY-HQ-II4-Quinolinecarboxylic acid, 2-(5-hexyl-2-hydroxyphenyl)-8-hydroxy-2-(5-Hexyl-2-hyroxyphenyl)-8-hydroxycinchoninic acid4-Quinolinecarboxylic acid, 8-hydroxy-2-(2-hydroxy-5-hexylphenyl)-HQ-2
Database identifiers
- CAS
55066-81-4- PubChem CID
- 41314
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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