methyl 3-phenoxy-2-pyridin-4-ylpropanoate

C15H15NO3 — CID 117246578

IUPACmethyl 3-phenoxy-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1)c1ccncc1
InChIInChI=1S/C15H15NO3/c1-18-15(17)14(12-7-9-16-10-8-12)11-19-13-5-3-2-4-6-13/h2-10,14H,11H2,1H3
InChIKeyAOMQZBJWADFEQE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.42
Rot. Bonds5

About methyl 3-phenoxy-2-pyridin-4-ylpropanoate

methyl 3-phenoxy-2-pyridin-4-ylpropanoate (PubChem CID 117246578) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-phenoxy-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-phenoxy-2-pyridin-4-ylpropanoate
PubChem CID117246578
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 3-phenoxy-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(COc1ccccc1)c1ccncc1
InChIInChI=1S/C15H15NO3/c1-18-15(17)14(12-7-9-16-10-8-12)11-19-13-5-3-2-4-6-13/h2-10,14H,11H2,1H3
InChIKeyAOMQZBJWADFEQE-UHFFFAOYSA-N
XLogP2.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 3-methylsulfonyl-2-pyridin-4-ylpropanoate
CID 117246575
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
methyl 2-(4-phenoxyphenyl)butanoate
CID 141066175
3-phenoxy-2-pyridin-4-yloxypropanoic acid
CID 54521232
methyl 2-(phenoxymethyl)pentanoate
CID 117242093
methyl 2-(5-methylfuran-2-yl)-3-pyridin-3-yloxypropanoate
CID 117241131

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenoxy-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 3-phenoxy-2-pyridin-4-ylpropanoate (CID 117246578) is methyl 3-phenoxy-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 3-phenoxy-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 3-phenoxy-2-pyridin-4-ylpropanoate is COC(=O)C(COc1ccccc1)c1ccncc1.
What is the InChIKey of methyl 3-phenoxy-2-pyridin-4-ylpropanoate?
The InChIKey is AOMQZBJWADFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-15(17)14(12-7-9-16-10-8-12)11-19-13-5-3-2-4-6-13/h2-10,14H,11H2,1H3.
What are the key properties of methyl 3-phenoxy-2-pyridin-4-ylpropanoate?
methyl 3-phenoxy-2-pyridin-4-ylpropanoate has a molecular weight of 257.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenoxy-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 117246578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).