ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate

C16H17NO4 — CID 65019360

IUPACethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2cccc(OCC)n2)cc1
InChIInChI=1S/C16H17NO4/c1-3-19-14-6-5-7-15(17-14)21-13-10-8-12(9-11-13)16(18)20-4-2/h5-11H,3-4H2,1-2H3
InChIKeySFNBECKLQWAGTM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.45
Rot. Bonds6

About ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate

ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate (PubChem CID 65019360) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
PubChem CID65019360
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2cccc(OCC)n2)cc1
InChIInChI=1S/C16H17NO4/c1-3-19-14-6-5-7-15(17-14)21-13-10-8-12(9-11-13)16(18)20-4-2/h5-11H,3-4H2,1-2H3
InChIKeySFNBECKLQWAGTM-UHFFFAOYSA-N
XLogP3.45
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
CID 79267932
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
CID 143813025
3-[(6-ethoxy-2-pyridinyl)oxy]aniline
CID 63591311
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
CID 158970570
CID 158970570
ethane;ethyl 4-methylbenzoate
CID 142095143
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate (CID 65019360) is ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate is CCOC(=O)c1ccc(Oc2cccc(OCC)n2)cc1.
What is the InChIKey of ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate?
The InChIKey is SFNBECKLQWAGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-19-14-6-5-7-15(17-14)21-13-10-8-12(9-11-13)16(18)20-4-2/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate?
ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate has a molecular weight of 287.32 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate is sourced from PubChem (CID 65019360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).