ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate

C16H17NO4 — CID 143813025

IUPACethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc(CCO)cn2)cc1
InChIInChI=1S/C16H17NO4/c1-2-20-16(19)13-4-6-14(7-5-13)21-15-8-3-12(9-10-18)11-17-15/h3-8,11,18H,2,9-10H2,1H3
InChIKeyRKGGRSOUFDZFSX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.59
Rot. Bonds6

About ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate

ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate (PubChem CID 143813025) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
PubChem CID143813025
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccc(CCO)cn2)cc1
InChIInChI=1S/C16H17NO4/c1-2-20-16(19)13-4-6-14(7-5-13)21-15-8-3-12(9-10-18)11-17-15/h3-8,11,18H,2,9-10H2,1H3
InChIKeyRKGGRSOUFDZFSX-UHFFFAOYSA-N
XLogP2.59
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
ethyl 6-[4-(2-methylbutan-2-yl)phenoxy]pyridine-3-carboxylate
CID 130434959
6-[4-(2-hydroxyethyl)phenoxy]pyridine-3-carbothioamide
CID 107708868
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
CID 25342701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate?
The IUPAC name of ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate (CID 143813025) is ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate is CCOC(=O)c1ccc(Oc2ccc(CCO)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate?
The InChIKey is RKGGRSOUFDZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-20-16(19)13-4-6-14(7-5-13)21-15-8-3-12(9-10-18)11-17-15/h3-8,11,18H,2,9-10H2,1H3.
What are the key properties of ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate?
ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-hydroxyethyl)-2-pyridinyl]oxy]benzoate is sourced from PubChem (CID 143813025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).