ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate

C16H17NO3 — CID 44522609

IUPACethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(C)nc2)cc1
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)14-7-5-13(6-8-14)11-20-15-9-4-12(2)17-10-15/h4-10H,3,11H2,1-2H3
InChIKeyFKVJHBBBYLUTSK-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds5

About ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate

ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate (PubChem CID 44522609) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate
PubChem CID44522609
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(C)nc2)cc1
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)14-7-5-13(6-8-14)11-20-15-9-4-12(2)17-10-15/h4-10H,3,11H2,1-2H3
InChIKeyFKVJHBBBYLUTSK-UHFFFAOYSA-N
XLogP3.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate?
The IUPAC name of ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate (CID 44522609) is ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate.
What is the SMILES notation for ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate?
The canonical SMILES for ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate is CCOC(=O)c1ccc(COc2ccc(C)nc2)cc1.
What is the InChIKey of ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate?
The InChIKey is FKVJHBBBYLUTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-19-16(18)14-7-5-13(6-8-14)11-20-15-9-4-12(2)17-10-15/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate?
ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate has a molecular weight of 271.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methyl-3-pyridinyl)oxymethyl]benzoate is sourced from PubChem (CID 44522609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).