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

C14H11BrFNO3 — CID 114382699

IUPAC2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(OCc2ccc(Br)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11BrFNO3/c1-9-2-5-12(16)14(6-9)20-8-10-3-4-11(15)7-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyGRPNKPYEIKRZMI-UHFFFAOYSA-N
MW340.15 g/mol
LogP4.38
Rot. Bonds4

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

2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene (PubChem CID 114382699) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
PubChem CID114382699
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(OCc2ccc(Br)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H11BrFNO3/c1-9-2-5-12(16)14(6-9)20-8-10-3-4-11(15)7-13(10)17(18)19/h2-7H,8H2,1H3
InChIKeyGRPNKPYEIKRZMI-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

1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
CID 114382705
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413
1-[(4-chloro-2-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 64764424
2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
CID 112842745
1-bromo-4-[(4-bromo-2-nitrophenyl)methoxy]-2-fluorobenzene
CID 114381636
2-[(4-bromo-2-nitrophenyl)methoxy]-5-chlorobenzaldehyde
CID 114381646
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
3-[(4-bromo-2-nitrophenyl)methoxy]-4-methylbenzonitrile
CID 107663187
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
5-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844533
2-(chloromethyl)-1-[(4-chloro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 63534736
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene?
The IUPAC name of 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene (CID 114382699) is 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene is Cc1ccc(F)c(OCc2ccc(Br)cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene?
The InChIKey is GRPNKPYEIKRZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-9-2-5-12(16)14(6-9)20-8-10-3-4-11(15)7-13(10)17(18)19/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene?
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-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-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene is sourced from PubChem (CID 114382699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).