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

C21H19NO3 — CID 10314767

IUPAC4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid
SMILESO=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H19NO3/c23-21(24)12-7-13-25-20-15-18(16-8-3-1-4-9-16)14-19(22-20)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H,23,24)
InChIKeyRROZGFXJPKGMTE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.66
Rot. Bonds7

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

4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid (PubChem CID 10314767) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid.

Molecular Properties

Compound Name4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid
PubChem CID10314767
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid
SMILESO=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H19NO3/c23-21(24)12-7-13-25-20-15-18(16-8-3-1-4-9-16)14-19(22-20)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H,23,24)
InChIKeyRROZGFXJPKGMTE-UHFFFAOYSA-N
XLogP4.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic 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 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid?
The IUPAC name of 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid (CID 10314767) is 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid.
What is the SMILES notation for 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid?
The canonical SMILES for 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid is O=C(O)CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid?
The InChIKey is RROZGFXJPKGMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-21(24)12-7-13-25-20-15-18(16-8-3-1-4-9-16)14-19(22-20)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H,23,24).
What are the key properties of 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid?
4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid has a molecular weight of 333.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-diphenyl-2-pyridinyl)oxy]butanoic acid is sourced from PubChem (CID 10314767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).