methyl 4-(1-pyridin-2-ylethoxy)benzoate

C15H15NO3 — CID 68727423

IUPACmethyl 4-(1-pyridin-2-ylethoxy)benzoate
SMILESCOC(=O)c1ccc(OC(C)c2ccccn2)cc1
InChIInChI=1S/C15H15NO3/c1-11(14-5-3-4-10-16-14)19-13-8-6-12(7-9-13)15(17)18-2/h3-11H,1-2H3
InChIKeyGARROYCIZLOURG-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.01
Rot. Bonds4

About methyl 4-(1-pyridin-2-ylethoxy)benzoate

methyl 4-(1-pyridin-2-ylethoxy)benzoate (PubChem CID 68727423) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-(1-pyridin-2-ylethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-pyridin-2-ylethoxy)benzoate
PubChem CID68727423
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-(1-pyridin-2-ylethoxy)benzoate
SMILESCOC(=O)c1ccc(OC(C)c2ccccn2)cc1
InChIInChI=1S/C15H15NO3/c1-11(14-5-3-4-10-16-14)19-13-8-6-12(7-9-13)15(17)18-2/h3-11H,1-2H3
InChIKeyGARROYCIZLOURG-UHFFFAOYSA-N
XLogP3.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-pyridin-2-ylethoxy)benzoyl chloride
CID 86648380
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
CID 117095036
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
CID 82037403
[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
CID 95908447
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
methyl 4-(dipyridin-2-ylmethyliminomethyl)benzoate
CID 101197781
methyl 4-[1-(1H-pyrrol-2-yl)ethoxy]benzoate
CID 117053572
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-pyridin-2-ylethoxy)benzoate?
The IUPAC name of methyl 4-(1-pyridin-2-ylethoxy)benzoate (CID 68727423) is methyl 4-(1-pyridin-2-ylethoxy)benzoate.
What is the SMILES notation for methyl 4-(1-pyridin-2-ylethoxy)benzoate?
The canonical SMILES for methyl 4-(1-pyridin-2-ylethoxy)benzoate is COC(=O)c1ccc(OC(C)c2ccccn2)cc1.
What is the InChIKey of methyl 4-(1-pyridin-2-ylethoxy)benzoate?
The InChIKey is GARROYCIZLOURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11(14-5-3-4-10-16-14)19-13-8-6-12(7-9-13)15(17)18-2/h3-11H,1-2H3.
What are the key properties of methyl 4-(1-pyridin-2-ylethoxy)benzoate?
methyl 4-(1-pyridin-2-ylethoxy)benzoate has a molecular weight of 257.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-pyridin-2-ylethoxy)benzoate is sourced from PubChem (CID 68727423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).