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

C26H29NO3 — CID 10341135

IUPAC7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid
SMILESCC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C26H29NO3/c1-26(2,25(28)29)16-10-5-11-17-30-24-19-22(20-12-6-3-7-13-20)18-23(27-24)21-14-8-4-9-15-21/h3-4,6-9,12-15,18-19H,5,10-11,16-17H2,1-2H3,(H,28,29)
InChIKeyLLOIWCULINVBNX-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.47
Rot. Bonds10

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

7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid (PubChem CID 10341135) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid.

Molecular Properties

Compound Name7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid
PubChem CID10341135
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid
SMILESCC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C26H29NO3/c1-26(2,25(28)29)16-10-5-11-17-30-24-19-22(20-12-6-3-7-13-20)18-23(27-24)21-14-8-4-9-15-21/h3-4,6-9,12-15,18-19H,5,10-11,16-17H2,1-2H3,(H,28,29)
InChIKeyLLOIWCULINVBNX-UHFFFAOYSA-N
XLogP6.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.47
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]-2,2-dimethylheptanoic acid?
The IUPAC name of 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid (CID 10341135) is 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid.
What is the SMILES notation for 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid?
The canonical SMILES for 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid is CC(C)(CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid?
The InChIKey is LLOIWCULINVBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-26(2,25(28)29)16-10-5-11-17-30-24-19-22(20-12-6-3-7-13-20)18-23(27-24)21-14-8-4-9-15-21/h3-4,6-9,12-15,18-19H,5,10-11,16-17H2,1-2H3,(H,28,29).
What are the key properties of 7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid?
7-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylheptanoic acid has a molecular weight of 403.52 g/mol, XLogP of 6.47, 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]-2,2-dimethylheptanoic acid is sourced from PubChem (CID 10341135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).