2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid

C15H15NO3 — CID 12945002

IUPAC2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
SMILESCc1ccc(Oc2cc(C(C)C(=O)O)ccn2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-13(6-4-10)19-14-9-12(7-8-16-14)11(2)15(17)18/h3-9,11H,1-2H3,(H,17,18)
InChIKeyLCSVURNVRJEHEC-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.37
Rot. Bonds4

About 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid

2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid (PubChem CID 12945002) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
PubChem CID12945002
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid
SMILESCc1ccc(Oc2cc(C(C)C(=O)O)ccn2)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-13(6-4-10)19-14-9-12(7-8-16-14)11(2)15(17)18/h3-9,11H,1-2H3,(H,17,18)
InChIKeyLCSVURNVRJEHEC-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884295
2-(2-cyano-4-pyridinyl)propanoic acid
CID 22939335
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
2-(4-phenoxyphenyl)propanoic acid
CID 527817
2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709110
1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
CID 115492831
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid (CID 12945002) is 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid is Cc1ccc(Oc2cc(C(C)C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid?
The InChIKey is LCSVURNVRJEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-3-5-13(6-4-10)19-14-9-12(7-8-16-14)11(2)15(17)18/h3-9,11H,1-2H3,(H,17,18).
What are the key properties of 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid?
2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)-4-pyridinyl]propanoic acid is sourced from PubChem (CID 12945002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).