3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid

C15H15NO3 — CID 55182246

IUPAC3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid
SMILESCc1ccc(OCC(C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C15H15NO3/c1-11-7-8-13(9-16-11)19-10-14(15(17)18)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,17,18)
InChIKeyBXEARIYCUWNIHA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.64
Rot. Bonds5

About 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid

3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid (PubChem CID 55182246) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid
PubChem CID55182246
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid
SMILESCc1ccc(OCC(C(=O)O)c2ccccc2)cn1
InChIInChI=1S/C15H15NO3/c1-11-7-8-13(9-16-11)19-10-14(15(17)18)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,17,18)
InChIKeyBXEARIYCUWNIHA-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3,5-dimethylphenoxy)-2-phenylpropanoic acid
CID 63074496
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
2-pyridin-3-yl-3-[4-(trifluoromethyl)phenoxy]propanoic acid
CID 117241340
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
3-[4-(2-methylpropoxy)phenyl]-2-phenylpropanoic acid
CID 82160480
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
1-[(6-methyl-3-pyridinyl)oxy]propan-2-amine
CID 102689433
4-(6-methyl-3-pyridinyl)-4-oxo-3-phenylbutanenitrile
CID 104822920
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid (CID 55182246) is 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid is Cc1ccc(OCC(C(=O)O)c2ccccc2)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid?
The InChIKey is BXEARIYCUWNIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-7-8-13(9-16-11)19-10-14(15(17)18)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H,17,18).
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid?
3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-3-pyridinyl)oxy]-2-phenylpropanoic acid is sourced from PubChem (CID 55182246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).