1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene

C14H11BrFNO4 — CID 42103728

IUPAC1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(OCc2ccc(F)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrFNO4/c1-20-11-4-5-14(13(7-11)17(18)19)21-8-9-2-3-10(16)6-12(9)15/h2-7H,8H2,1H3
InChIKeyGCQYIBARYCUQQU-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.08
Rot. Bonds5

About 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene

1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene (PubChem CID 42103728) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene
PubChem CID42103728
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(OCc2ccc(F)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrFNO4/c1-20-11-4-5-14(13(7-11)17(18)19)21-8-9-2-3-10(16)6-12(9)15/h2-7H,8H2,1H3
InChIKeyGCQYIBARYCUQQU-UHFFFAOYSA-N
XLogP4.08
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.15
LogP ≤ 54.08
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-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
5-bromo-2-[(4-methoxy-2-nitrophenoxy)methyl]pyridine
CID 104809840
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
[2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorophenyl]methanamine
CID 104706865
2-bromo-1-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-nitrobenzene
CID 107699082
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
1-[(4-bromo-2-nitrophenyl)methoxy]-4-fluoro-2-methylbenzene
CID 114382705
2-(4-fluorophenyl)-4-[(4-methoxy-2-nitrophenoxy)methyl]-1,3-thiazole
CID 8537624
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 8728702

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene (CID 42103728) is 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene is COc1ccc(OCc2ccc(F)cc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene?
The InChIKey is GCQYIBARYCUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c1-20-11-4-5-14(13(7-11)17(18)19)21-8-9-2-3-10(16)6-12(9)15/h2-7H,8H2,1H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene?
1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene has a molecular weight of 356.15 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 42103728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).