2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid

C15H15NO3 — CID 117051509

IUPAC2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
SMILESCC(C)(Oc1ccc(-c2ccncc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-15(2,14(17)18)19-13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-10H,1-2H3,(H,17,18)
InChIKeyOLCUHKRIAZTCST-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid

2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid (PubChem CID 117051509) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
PubChem CID117051509
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
SMILESCC(C)(Oc1ccc(-c2ccncc2)cc1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-15(2,14(17)18)19-13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-10H,1-2H3,(H,17,18)
InChIKeyOLCUHKRIAZTCST-UHFFFAOYSA-N
XLogP2.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid
CID 117051555
2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
CID 167879093
2-methyl-2-[4-(1H-pyrazol-5-yl)phenoxy]propanoic acid
CID 141111696
2-methyl-2-(4-pyridin-2-ylphenoxy)propanoic acid
CID 58589418
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
CID 131878857
CID 131878857
2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
CID 143921045
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid
CID 878489
2-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenoxy]propanoic acid
CID 125434955
2-[(6-chloro-3-pyridinyl)oxy]-2-methylpropanoic acid
CID 71739073
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid (CID 117051509) is 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid is CC(C)(Oc1ccc(-c2ccncc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid?
The InChIKey is OLCUHKRIAZTCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2,14(17)18)19-13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-10H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid?
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid is sourced from PubChem (CID 117051509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).