1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene

C14H11BrFNO3 — CID 114382705

IUPAC1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1OCc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrFNO3/c1-9-6-12(16)4-5-14(9)20-8-10-2-3-11(15)7-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyZFNROJYLUFTBGG-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.38
Rot. Bonds4

About 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene

1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene (PubChem CID 114382705) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
PubChem CID114382705
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
SMILESCc1cc(F)ccc1OCc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11BrFNO3/c1-9-6-12(16)4-5-14(9)20-8-10-2-3-11(15)7-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyZFNROJYLUFTBGG-UHFFFAOYSA-N
XLogP4.38
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699
3-[(4-bromo-2-nitrophenyl)methoxy]-4-methylbenzonitrile
CID 107663187
2-(bromomethyl)-3-[(4-bromo-2-nitrophenyl)methoxy]-6-methylpyridine
CID 114381887
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022
2-[(5-bromo-2-fluorophenyl)methoxy]-4-fluoro-1-nitrobenzene
CID 52617947
1-[2-[(4-bromo-2-nitrophenyl)methoxy]phenyl]ethanone
CID 114381617
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844533
1-bromo-4-[(4-bromo-2-nitrophenyl)methoxy]-2-fluorobenzene
CID 114381636

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene?
The IUPAC name of 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene (CID 114382705) is 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene?
The canonical SMILES for 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene is Cc1cc(F)ccc1OCc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene?
The InChIKey is ZFNROJYLUFTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-9-6-12(16)4-5-14(9)20-8-10-2-3-11(15)7-13(10)17(18)19/h2-7H,8H2,1H3.
What are the key properties of 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene?
1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene has a molecular weight of 340.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene is sourced from PubChem (CID 114382705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).