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

C25H27NO3 — CID 10023244

IUPAC6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C25H27NO3/c1-25(2,24(27)28)15-9-10-16-29-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3,(H,27,28)
InChIKeyKPQMGPINRWJVQJ-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.08
Rot. Bonds9

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

6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid (PubChem CID 10023244) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid
PubChem CID10023244
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C25H27NO3/c1-25(2,24(27)28)15-9-10-16-29-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3,(H,27,28)
InChIKeyKPQMGPINRWJVQJ-UHFFFAOYSA-N
XLogP6.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.08
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 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid?
The IUPAC name of 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid (CID 10023244) is 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid is CC(C)(CCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid?
The InChIKey is KPQMGPINRWJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-25(2,24(27)28)15-9-10-16-29-23-18-21(19-11-5-3-6-12-19)17-22(26-23)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3,(H,27,28).
What are the key properties of 6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid?
6-[(4,6-diphenyl-2-pyridinyl)oxy]-2,2-dimethylhexanoic acid has a molecular weight of 389.50 g/mol, XLogP of 6.08, 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]-2,2-dimethylhexanoic acid is sourced from PubChem (CID 10023244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).