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

C24H25NO3 — CID 10407131

IUPAC6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1
InChIInChI=1S/C24H25NO3/c1-18-11-13-20(14-12-18)22-16-21(19-8-4-2-5-9-19)17-23(25-22)28-15-7-3-6-10-24(26)27/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,26,27)
InChIKeyPJWFCMIUXWZHRF-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.75
Rot. Bonds9

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

6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10407131) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
PubChem CID10407131
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1
InChIInChI=1S/C24H25NO3/c1-18-11-13-20(14-12-18)22-16-21(19-8-4-2-5-9-19)17-23(25-22)28-15-7-3-6-10-24(26)27/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,26,27)
InChIKeyPJWFCMIUXWZHRF-UHFFFAOYSA-N
XLogP5.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.75
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-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid (CID 10407131) is 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is Cc1ccc(-c2cc(-c3ccccc3)cc(OCCCCCC(=O)O)n2)cc1.
What is the InChIKey of 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is PJWFCMIUXWZHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18-11-13-20(14-12-18)22-16-21(19-8-4-2-5-9-19)17-23(25-22)28-15-7-3-6-10-24(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-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid?
6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 375.47 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10407131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).