ethyl 3-methyl-2-pyridin-4-yloxybenzoate

C15H15NO3 — CID 140570750

IUPACethyl 3-methyl-2-pyridin-4-yloxybenzoate
SMILESCCOC(=O)c1cccc(C)c1Oc1ccncc1
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)13-6-4-5-11(2)14(13)19-12-7-9-16-10-8-12/h4-10H,3H2,1-2H3
InChIKeyDCGZREUMYAVNKS-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.36
Rot. Bonds4

About ethyl 3-methyl-2-pyridin-4-yloxybenzoate

ethyl 3-methyl-2-pyridin-4-yloxybenzoate (PubChem CID 140570750) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 3-methyl-2-pyridin-4-yloxybenzoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-pyridin-4-yloxybenzoate
PubChem CID140570750
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 3-methyl-2-pyridin-4-yloxybenzoate
SMILESCCOC(=O)c1cccc(C)c1Oc1ccncc1
InChIInChI=1S/C15H15NO3/c1-3-18-15(17)13-6-4-5-11(2)14(13)19-12-7-9-16-10-8-12/h4-10H,3H2,1-2H3
InChIKeyDCGZREUMYAVNKS-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
2-(4-ethylphenoxy)-3-methylbenzenecarbothioamide
CID 107108780
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
ethyl 2-amino-3-pyridin-4-ylsulfanylbenzoate
CID 115547690
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 3-amino-2-(pyridin-4-ylmethylamino)benzoate
CID 115934090
ethyl chrysene-1-carboxylate
CID 86251232
2-(4-butylphenoxy)-3-methylbenzoic acid
CID 107112600
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
diethyl phenazine-1,6-dicarboxylate
CID 71514835

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-pyridin-4-yloxybenzoate?
The IUPAC name of ethyl 3-methyl-2-pyridin-4-yloxybenzoate (CID 140570750) is ethyl 3-methyl-2-pyridin-4-yloxybenzoate.
What is the SMILES notation for ethyl 3-methyl-2-pyridin-4-yloxybenzoate?
The canonical SMILES for ethyl 3-methyl-2-pyridin-4-yloxybenzoate is CCOC(=O)c1cccc(C)c1Oc1ccncc1.
What is the InChIKey of ethyl 3-methyl-2-pyridin-4-yloxybenzoate?
The InChIKey is DCGZREUMYAVNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-18-15(17)13-6-4-5-11(2)14(13)19-12-7-9-16-10-8-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-2-pyridin-4-yloxybenzoate?
ethyl 3-methyl-2-pyridin-4-yloxybenzoate has a molecular weight of 257.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-pyridin-4-yloxybenzoate is sourced from PubChem (CID 140570750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).