2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid

C18H21NO3 — CID 70535624

IUPAC2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid
SMILESCC(CC(C)(C)C(=O)O)Oc1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H21NO3/c1-13(12-18(2,3)17(20)21)22-16-11-7-10-15(19-16)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyCKUQFTINFVYKJY-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.02
Rot. Bonds6

About 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid

2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid (PubChem CID 70535624) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid
PubChem CID70535624
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid
SMILESCC(CC(C)(C)C(=O)O)Oc1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H21NO3/c1-13(12-18(2,3)17(20)21)22-16-11-7-10-15(19-16)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3,(H,20,21)
InChIKeyCKUQFTINFVYKJY-UHFFFAOYSA-N
XLogP4.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic 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 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid (CID 70535624) is 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid is CC(CC(C)(C)C(=O)O)Oc1cccc(-c2ccccc2)n1.
What is the InChIKey of 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid?
The InChIKey is CKUQFTINFVYKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(12-18(2,3)17(20)21)22-16-11-7-10-15(19-16)14-8-5-4-6-9-14/h4-11,13H,12H2,1-3H3,(H,20,21).
What are the key properties of 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid?
2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(6-phenyl-2-pyridinyl)oxy]pentanoic acid is sourced from PubChem (CID 70535624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).