6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid

C23H23NO3 — CID 10406292

IUPAC6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H23NO3/c25-23(26)14-8-3-9-15-27-22-17-20(18-10-4-1-5-11-18)16-21(24-22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26)
InChIKeyFJLSNSKSKQBOKK-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.44
Rot. Bonds9

About 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid

6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid (PubChem CID 10406292) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid.

Molecular Properties

Compound Name6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid
PubChem CID10406292
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H23NO3/c25-23(26)14-8-3-9-15-27-22-17-20(18-10-4-1-5-11-18)16-21(24-22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26)
InChIKeyFJLSNSKSKQBOKK-UHFFFAOYSA-N
XLogP5.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid?
The IUPAC name of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid (CID 10406292) is 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid.
What is the SMILES notation for 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid?
The canonical SMILES for 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid?
The InChIKey is FJLSNSKSKQBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c25-23(26)14-8-3-9-15-27-22-17-20(18-10-4-1-5-11-18)16-21(24-22)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,25,26).
What are the key properties of 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid?
6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid has a molecular weight of 361.44 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-diphenyl-2-pyridinyl)oxy]hexanoic acid is sourced from PubChem (CID 10406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).