7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid

C24H25NO3 — CID 10474602

IUPAC7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid
SMILESO=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H25NO3/c26-24(27)15-9-1-2-10-16-28-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2,(H,26,27)
InChIKeyQRYVOEGOCVLABL-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.83
Rot. Bonds10

About 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid

7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid (PubChem CID 10474602) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid.

Molecular Properties

Compound Name7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid
PubChem CID10474602
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid
SMILESO=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H25NO3/c26-24(27)15-9-1-2-10-16-28-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2,(H,26,27)
InChIKeyQRYVOEGOCVLABL-UHFFFAOYSA-N
XLogP5.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.83
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 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid?
The IUPAC name of 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid (CID 10474602) is 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid.
What is the SMILES notation for 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid?
The canonical SMILES for 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid is O=C(O)CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid?
The InChIKey is QRYVOEGOCVLABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c26-24(27)15-9-1-2-10-16-28-23-18-21(19-11-5-3-6-12-19)17-22(25-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2,(H,26,27).
What are the key properties of 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid?
7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid has a molecular weight of 375.47 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,6-diphenyl-2-pyridinyl)oxy]heptanoic acid is sourced from PubChem (CID 10474602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).