2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone

C15H12FNO4 — CID 63937568

IUPAC2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone
SMILESO=C(COCc1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12FNO4/c16-14-4-2-1-3-12(14)9-21-10-15(18)11-5-7-13(8-6-11)17(19)20/h1-8H,9-10H2
InChIKeyGUAMJIGEHIKQEO-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.13
Rot. Bonds6

About 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone

2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone (PubChem CID 63937568) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone
PubChem CID63937568
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone
SMILESO=C(COCc1ccccc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12FNO4/c16-14-4-2-1-3-12(14)9-21-10-15(18)11-5-7-13(8-6-11)17(19)20/h1-8H,9-10H2
InChIKeyGUAMJIGEHIKQEO-UHFFFAOYSA-N
XLogP3.13
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.13
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

1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
1-(2-fluorophenyl)-3-(4-nitrophenoxy)propan-2-one
CID 61031387
2-(2-chloro-6-fluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 83052615
1-(4-fluorophenyl)-3-[(2-fluorophenyl)methoxy]propan-1-one
CID 63935532
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 7834788
2-(3,4-difluorophenoxy)-1-(4-nitrophenyl)ethanone
CID 43612540
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
CID 61079159
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 23820536
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
[2-(4-nitrophenyl)-2-oxoethyl] 3-[3-[2-(4-nitrophenyl)-2-oxoethoxy]carbonylphenyl]benzoate
CID 3094936
2-[3-(2-methoxyethoxy)propoxy]-1-(4-nitrophenyl)ethanone
CID 103403751
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
CID 91681710

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone (CID 63937568) is 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone is O=C(COCc1ccccc1F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone?
The InChIKey is GUAMJIGEHIKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-14-4-2-1-3-12(14)9-21-10-15(18)11-5-7-13(8-6-11)17(19)20/h1-8H,9-10H2.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone?
2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone has a molecular weight of 289.26 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 63937568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).