ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate

C16H17NO3 — CID 79267932

IUPACethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2cccc(C)n2)cc1
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)13-7-9-15(10-8-13)20-11-14-6-4-5-12(2)17-14/h4-10H,3,11H2,1-2H3
InChIKeyJPDGUPMPHPSANJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds5

About ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate

ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate (PubChem CID 79267932) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
PubChem CID79267932
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2cccc(C)n2)cc1
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)13-7-9-15(10-8-13)20-11-14-6-4-5-12(2)17-14/h4-10H,3,11H2,1-2H3
InChIKeyJPDGUPMPHPSANJ-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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Related Compounds

[4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 79267363
1-(4-methoxyphenyl)-2-[4-[(6-methyl-2-pyridinyl)methoxy]pyridin-1-ium-1-yl]ethanone bromide
CID 87227255
2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
CID 157202474
2-[4-[(6-methyl-2-pyridinyl)methoxy]pyridin-1-ium-1-yl]-1-[4-(trifluoromethoxy)phenyl]ethanone bromide
CID 87226865
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107305560
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
ethyl 4-[(6-ethoxy-2-pyridinyl)oxy]benzoate
CID 65019360
1-[4-(difluoromethoxy)phenyl]-2-[4-[(6-methyl-2-pyridinyl)methoxy]pyridin-1-ium-1-yl]ethanone
CID 58505734
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
ethyl 4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 63862752
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate (CID 79267932) is ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2cccc(C)n2)cc1.
What is the InChIKey of ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate?
The InChIKey is JPDGUPMPHPSANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-19-16(18)13-7-9-15(10-8-13)20-11-14-6-4-5-12(2)17-14/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 4-[(6-methyl-2-pyridinyl)methoxy]benzoate?
ethyl 4-[(6-methyl-2-pyridinyl)methoxy]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-2-pyridinyl)methoxy]benzoate is sourced from PubChem (CID 79267932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).