1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone

C15H14FNO3 — CID 63984894

IUPAC1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCOc1cccc(COc2cc(F)ccc2C(C)=O)n1
InChIInChI=1S/C15H14FNO3/c1-10(18)13-7-6-11(16)8-14(13)20-9-12-4-3-5-15(17-12)19-2/h3-8H,9H2,1-2H3
InChIKeyQOBZWDAQTBGZRF-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone

1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone (PubChem CID 63984894) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
PubChem CID63984894
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone
SMILESCOc1cccc(COc2cc(F)ccc2C(C)=O)n1
InChIInChI=1S/C15H14FNO3/c1-10(18)13-7-6-11(16)8-14(13)20-9-12-4-3-5-15(17-12)19-2/h3-8H,9H2,1-2H3
InChIKeyQOBZWDAQTBGZRF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-[(6-methoxy-2-pyridinyl)methoxy]benzoate
CID 106955195
(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
CID 63985128
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704
2-[(2,3-dimethylphenoxy)methyl]-6-methoxypyridine
CID 103432339
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
N-[1-[4-fluoro-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79267270
2-[(2-fluoro-5-methylphenoxy)methyl]-6-methoxypyridine
CID 64854335
1-[4-fluoro-2-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371740
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
1-[2-(ethoxymethoxy)-4-fluorophenyl]ethanone
CID 65369860

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone (CID 63984894) is 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone is COc1cccc(COc2cc(F)ccc2C(C)=O)n1.
What is the InChIKey of 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone?
The InChIKey is QOBZWDAQTBGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-10(18)13-7-6-11(16)8-14(13)20-9-12-4-3-5-15(17-12)19-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone?
1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone has a molecular weight of 275.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 63984894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).