8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid

C27H31NO3 — CID 10319829

IUPAC8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid
SMILESCC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C27H31NO3/c1-27(2,26(29)30)17-11-3-4-12-18-31-25-20-23(21-13-7-5-8-14-21)19-24(28-25)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3,(H,29,30)
InChIKeyWFPFILGYCCUVGQ-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.86
Rot. Bonds11

About 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid

8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid (PubChem CID 10319829) has the molecular formula C27H31NO3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid.

Molecular Properties

Compound Name8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid
PubChem CID10319829
Molecular FormulaC27H31NO3
Molecular Weight417.55 g/mol
Exact Mass417.23
IUPAC Name8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid
SMILESCC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C27H31NO3/c1-27(2,26(29)30)17-11-3-4-12-18-31-25-20-23(21-13-7-5-8-14-21)19-24(28-25)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3,(H,29,30)
InChIKeyWFPFILGYCCUVGQ-UHFFFAOYSA-N
XLogP6.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.86
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 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid?
The IUPAC name of 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid (CID 10319829) is 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid.
What is the SMILES notation for 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid?
The canonical SMILES for 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid is CC(C)(CCCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid?
The InChIKey is WFPFILGYCCUVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO3/c1-27(2,26(29)30)17-11-3-4-12-18-31-25-20-23(21-13-7-5-8-14-21)19-24(28-25)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3,(H,29,30).
What are the key properties of 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid?
8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid has a molecular weight of 417.55 g/mol, XLogP of 6.86, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethyloctanoic acid is sourced from PubChem (CID 10319829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).