1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone

C15H12FNO4 — CID 65433449

IUPAC1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
SMILESCOc1cccc(F)c1C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FNO4/c1-21-14-8-4-6-11(16)15(14)13(18)9-10-5-2-3-7-12(10)17(19)20/h2-8H,9H2,1H3
InChIKeyNDFHWWCEILXJQU-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone

1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone (PubChem CID 65433449) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
PubChem CID65433449
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
SMILESCOc1cccc(F)c1C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12FNO4/c1-21-14-8-4-6-11(16)15(14)13(18)9-10-5-2-3-7-12(10)17(19)20/h2-8H,9H2,1H3
InChIKeyNDFHWWCEILXJQU-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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-(2-nitrophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65098515
1-(2-fluorophenyl)-2-(2-nitrophenyl)ethanone
CID 12909590
2-(2-fluorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61077891
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 62504743
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-[(2-fluorophenoxy)methyl]-6-nitrobenzoic acid
CID 104825111
methyl 2-(2-nitrophenyl)acetate
CID 520464
4-fluoro-2-methoxy-1-[(2-nitrophenyl)methyl]benzene
CID 122463913
2-[(2-fluoro-6-nitroanilino)methyl]-6-methoxyphenol
CID 81306899
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone (CID 65433449) is 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone is COc1cccc(F)c1C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone?
The InChIKey is NDFHWWCEILXJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c1-21-14-8-4-6-11(16)15(14)13(18)9-10-5-2-3-7-12(10)17(19)20/h2-8H,9H2,1H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone?
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone has a molecular weight of 289.26 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 65433449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).