2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene

C14H11BrFNO3 — CID 43443648

IUPAC2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C14H11BrFNO3/c1-9-2-5-14(12(15)6-9)20-8-10-7-11(16)3-4-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyVUERFPHVXGDQTJ-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.38
Rot. Bonds4

About 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene

2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene (PubChem CID 43443648) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
PubChem CID43443648
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
SMILESCc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])c(Br)c1
InChIInChI=1S/C14H11BrFNO3/c1-9-2-5-14(12(15)6-9)20-8-10-7-11(16)3-4-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyVUERFPHVXGDQTJ-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'}

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Related Compounds

2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
CID 112842745
2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
CID 63529440
1-bromo-2,5-dimethoxy-4-[(5-methyl-2-nitrophenoxy)methyl]benzene
CID 36632094
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
2-(bromomethyl)-1-chloro-3-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 114320904
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
CID 114382705
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
CID 43443545
3-fluoro-4-[(5-fluoro-2-nitrophenyl)methoxy]benzonitrile
CID 103792151
[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene?
The IUPAC name of 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene (CID 43443648) is 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene.
What is the SMILES notation for 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene?
The canonical SMILES for 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene is Cc1ccc(OCc2cc(F)ccc2[N+](=O)[O-])c(Br)c1.
What is the InChIKey of 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene?
The InChIKey is VUERFPHVXGDQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-9-2-5-14(12(15)6-9)20-8-10-7-11(16)3-4-13(10)17(18)19/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene?
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-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 2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene is sourced from PubChem (CID 43443648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).