4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene

C13H9BrFNO4 — CID 63672086

IUPAC4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
SMILESCOc1cc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrFNO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(15)6-10(12)14/h2-7H,1H3
InChIKeyQJJYPMIYPQODNL-UHFFFAOYSA-N
MW342.12 g/mol
LogP4.30
Rot. Bonds4

About 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene

4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene (PubChem CID 63672086) has the molecular formula C13H9BrFNO4 and a molecular weight of 342.12 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
PubChem CID63672086
Molecular FormulaC13H9BrFNO4
Molecular Weight342.12 g/mol
Exact Mass340.97
IUPAC Name4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
SMILESCOc1cc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9BrFNO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(15)6-10(12)14/h2-7H,1H3
InChIKeyQJJYPMIYPQODNL-UHFFFAOYSA-N
XLogP4.30
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 54.30
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-bromo-4-fluoro-1-(2-nitrophenoxy)benzene
CID 9112165
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
2-(4-bromophenoxy)-4-fluoro-1-nitrobenzene
CID 62377093
2-(2-bromo-4-fluorophenoxy)-6-methyl-3-nitropyridine
CID 81133094
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
2-(2-bromo-4-fluorophenoxy)-1-methyl-3-nitrobenzene
CID 115551202
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
(1S)-1-[3-bromo-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanamine
CID 63369927
1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene
CID 42103728

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene (CID 63672086) is 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene is COc1cc(Oc2ccc(F)cc2Br)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene?
The InChIKey is QJJYPMIYPQODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4/c1-19-13-7-9(3-4-11(13)16(17)18)20-12-5-2-8(15)6-10(12)14/h2-7H,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene?
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene has a molecular weight of 342.12 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene is sourced from PubChem (CID 63672086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).