6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid

C23H22FNO3 — CID 10362331

IUPAC6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H22FNO3/c24-20-12-10-18(11-13-20)21-15-19(17-7-3-1-4-8-17)16-22(25-21)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,26,27)
InChIKeyBGDZTYGXZZTYSF-UHFFFAOYSA-N
MW379.43 g/mol
LogP5.58
Rot. Bonds9

About 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid

6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10362331) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10362331
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC Name6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H22FNO3/c24-20-12-10-18(11-13-20)21-15-19(17-7-3-1-4-8-17)16-22(25-21)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,26,27)
InChIKeyBGDZTYGXZZTYSF-UHFFFAOYSA-N
XLogP5.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10362331) is 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is BGDZTYGXZZTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c24-20-12-10-18(11-13-20)21-15-19(17-7-3-1-4-8-17)16-22(25-21)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,26,27).
What are the key properties of 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 379.43 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10362331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).