2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid

C15H15NO3 — CID 117051555

IUPAC2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid
SMILESCC(C)(Oc1cccc(-c2ccncc2)c1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-15(2,14(17)18)19-13-5-3-4-12(10-13)11-6-8-16-9-7-11/h3-10H,1-2H3,(H,17,18)
InChIKeyAFHNEPGFGHFVQW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.99
Rot. Bonds4

About 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid

2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid (PubChem CID 117051555) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid
PubChem CID117051555
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid
SMILESCC(C)(Oc1cccc(-c2ccncc2)c1)C(=O)O
InChIInChI=1S/C15H15NO3/c1-15(2,14(17)18)19-13-5-3-4-12(10-13)11-6-8-16-9-7-11/h3-10H,1-2H3,(H,17,18)
InChIKeyAFHNEPGFGHFVQW-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-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
tert-butyl 2-methyl-2-[3-(4-methylphenyl)phenoxy]propanoate
CID 59138328
2-methyl-2-[4-(5-methyl-3-pyridinyl)phenoxy]propanoic acid
CID 167879093
2-methyl-2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514248
methyl 3-pyridin-4-ylbenzoate
CID 5152687
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2-methyl-2-(3-pentanoylphenoxy)propanoic acid
CID 71382552
2-[3-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoic acid
CID 20571883
2-[3-[4-[(2-cyclopropyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]phenyl]phenoxy]-2-methylpropanoic acid
CID 24945672
2-methyl-2-(4-pyridin-2-ylphenoxy)propanoic acid
CID 58589418
2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]-2-methylpropanoic acid
CID 10094051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid (CID 117051555) is 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid is CC(C)(Oc1cccc(-c2ccncc2)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid?
The InChIKey is AFHNEPGFGHFVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2,14(17)18)19-13-5-3-4-12(10-13)11-6-8-16-9-7-11/h3-10H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid?
2-methyl-2-(3-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-(3-pyridin-4-ylphenoxy)propanoic acid is sourced from PubChem (CID 117051555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).