1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone

C15H12FNO4 — CID 107349549

IUPAC1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H12FNO4/c1-10(18)11-5-7-13(8-6-11)21-9-12-3-2-4-14(15(12)16)17(19)20/h2-8H,9H2,1H3
InChIKeyKUXIGBJRSGDQPI-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.52
Rot. Bonds5

About 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone

1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone (PubChem CID 107349549) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
PubChem CID107349549
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2F)cc1
InChIInChI=1S/C15H12FNO4/c1-10(18)11-5-7-13(8-6-11)21-9-12-3-2-4-14(15(12)16)17(19)20/h2-8H,9H2,1H3
InChIKeyKUXIGBJRSGDQPI-UHFFFAOYSA-N
XLogP3.52
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
(1R)-1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107349867
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
methyl 4-[(2-nitrophenyl)methoxy]benzoate
CID 26218557
1-[3-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanone
CID 43509189
[5-[(2-fluoro-3-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 107348052
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1-[4-[(3-nitrophenyl)methoxy]phenyl]ethanone
CID 24695698
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
CID 107349865

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone (CID 107349549) is 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2F)cc1.
What is the InChIKey of 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone?
The InChIKey is KUXIGBJRSGDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-10(18)11-5-7-13(8-6-11)21-9-12-3-2-4-14(15(12)16)17(19)20/h2-8H,9H2,1H3.
What are the key properties of 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone?
1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone has a molecular weight of 289.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-3-nitrophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 107349549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).