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

C24H25NO4 — CID 11741184

IUPAC6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1
InChIInChI=1S/C24H25NO4/c1-28-21-13-11-19(12-14-21)22-16-20(18-8-4-2-5-9-18)17-23(25-22)29-15-7-3-6-10-24(26)27/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,26,27)
InChIKeyOKZSWDQASFRKGX-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.45
Rot. Bonds10

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

6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 11741184) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID11741184
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1
InChIInChI=1S/C24H25NO4/c1-28-21-13-11-19(12-14-21)22-16-20(18-8-4-2-5-9-18)17-23(25-22)29-15-7-3-6-10-24(26)27/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,26,27)
InChIKeyOKZSWDQASFRKGX-UHFFFAOYSA-N
XLogP5.45
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 11741184) is 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is COc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1.
What is the InChIKey of 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is OKZSWDQASFRKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-28-21-13-11-19(12-14-21)22-16-20(18-8-4-2-5-9-18)17-23(25-22)29-15-7-3-6-10-24(26)27/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,26,27).
What are the key properties of 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 391.47 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 11741184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).