1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone

C15H14FNO3 — CID 169303334

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone
SMILESCOc1ccc(C(=O)COc2cccc(C)n2)c(F)c1
InChIInChI=1S/C15H14FNO3/c1-10-4-3-5-15(17-10)20-9-14(18)12-7-6-11(19-2)8-13(12)16/h3-8H,9H2,1-2H3
InChIKeyNHOXFNNMQKXPFQ-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone

1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone (PubChem CID 169303334) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone
PubChem CID169303334
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone
SMILESCOc1ccc(C(=O)COc2cccc(C)n2)c(F)c1
InChIInChI=1S/C15H14FNO3/c1-10-4-3-5-15(17-10)20-9-14(18)12-7-6-11(19-2)8-13(12)16/h3-8H,9H2,1-2H3
InChIKeyNHOXFNNMQKXPFQ-UHFFFAOYSA-N
XLogP2.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone (CID 169303334) is 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone is COc1ccc(C(=O)COc2cccc(C)n2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone?
The InChIKey is NHOXFNNMQKXPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10-4-3-5-15(17-10)20-9-14(18)12-7-6-11(19-2)8-13(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone?
1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone has a molecular weight of 275.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-[(6-methyl-2-pyridinyl)oxy]ethanone is sourced from PubChem (CID 169303334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).