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

C24H24ClNO3 — CID 10001576

IUPAC6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid
SMILESCC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C24H24ClNO3/c1-17(24(27)28)7-5-6-14-29-23-16-20(18-10-12-21(25)13-11-18)15-22(26-23)19-8-3-2-4-9-19/h2-4,8-13,15-17H,5-7,14H2,1H3,(H,27,28)
InChIKeyLLXWFRMECZGHPV-UHFFFAOYSA-N
MW409.91 g/mol
LogP6.34
Rot. Bonds9

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

6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid (PubChem CID 10001576) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid.

Molecular Properties

Compound Name6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid
PubChem CID10001576
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid
SMILESCC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C24H24ClNO3/c1-17(24(27)28)7-5-6-14-29-23-16-20(18-10-12-21(25)13-11-18)15-22(26-23)19-8-3-2-4-9-19/h2-4,8-13,15-17H,5-7,14H2,1H3,(H,27,28)
InChIKeyLLXWFRMECZGHPV-UHFFFAOYSA-N
XLogP6.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.34
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-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
The IUPAC name of 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid (CID 10001576) is 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid.
What is the SMILES notation for 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
The canonical SMILES for 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid is CC(CCCCOc1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
The InChIKey is LLXWFRMECZGHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-17(24(27)28)7-5-6-14-29-23-16-20(18-10-12-21(25)13-11-18)15-22(26-23)19-8-3-2-4-9-19/h2-4,8-13,15-17H,5-7,14H2,1H3,(H,27,28).
What are the key properties of 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid?
6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid has a molecular weight of 409.91 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-chlorophenyl)-6-phenyl-2-pyridinyl]oxy]-2-methylhexanoic acid is sourced from PubChem (CID 10001576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).