3-Pyridinecarboxylic acid, 6-(4-((4-chlorophenyl)methoxy)phenyl)hexyl ester
Basic information
- CAS
83123-66-4- Standard SMILES
O=C(OCCCCCCc1ccc(OCc2ccc(Cl)cc2)cc1)c1cccnc1- InChIKey
TUPVCDRBWRUKLT-UHFFFAOYSA-N- Molecular formula
- C25H26ClNO3
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.1601214
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 6-(4-((4-chlorophenyl)methoxy)phenyl)hexyl ester
- IUPAC
- 6-[4-[(4-chlorophenyl)methoxy]phenyl]hexyl pyridine-3-carboxylate
- English name
- 3-Pyridinecarboxylic acid, 6-(4-((4-chlorophenyl)methoxy)phenyl)hexyl ester
- Molecular weight
- 0
Names & synonyms
83123-66-46-(4-(4-Chlorobenzyloxy)phenyl)hexyl nicotinate3-Pyridinecarboxylic acid, 6-(4-((4-chlorophenyl)methoxy)phenyl)hexyl esterRefChem:2823086-{4-[(4-Chlorobenzyl)oxy]phenyl}hexyl nicotinateSCHEMBL11000992DTXSID1010031236-{4-[(4-CHLOROPHENYL)METHOXY]PHENYL}HEXYL PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
83123-66-4- PubChem CID
- 3068166
- DTXSID
DTXSID101003123
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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