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

C24H24FNO3 — CID 10430674

IUPAC6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid
SMILESCC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O
InChIInChI=1S/C24H24FNO3/c1-17(24(27)28)9-7-8-14-29-23-16-19(18-10-3-2-4-11-18)15-22(26-23)20-12-5-6-13-21(20)25/h2-6,10-13,15-17H,7-9,14H2,1H3,(H,27,28)
InChIKeyXHRNNMAQJJKUCE-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.82
Rot. Bonds9

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

6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid (PubChem CID 10430674) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid.

Molecular Properties

Compound Name6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid
PubChem CID10430674
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid
SMILESCC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O
InChIInChI=1S/C24H24FNO3/c1-17(24(27)28)9-7-8-14-29-23-16-19(18-10-3-2-4-11-18)15-22(26-23)20-12-5-6-13-21(20)25/h2-6,10-13,15-17H,7-9,14H2,1H3,(H,27,28)
InChIKeyXHRNNMAQJJKUCE-UHFFFAOYSA-N
XLogP5.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.82
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-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
The IUPAC name of 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid (CID 10430674) is 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid.
What is the SMILES notation for 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
The canonical SMILES for 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid is CC(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2F)n1)C(=O)O.
What is the InChIKey of 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
The InChIKey is XHRNNMAQJJKUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c1-17(24(27)28)9-7-8-14-29-23-16-19(18-10-3-2-4-11-18)15-22(26-23)20-12-5-6-13-21(20)25/h2-6,10-13,15-17H,7-9,14H2,1H3,(H,27,28).
What are the key properties of 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid has a molecular weight of 393.46 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid is sourced from PubChem (CID 10430674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).