2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene

C14H11BrFNO4 — CID 114672725

IUPAC2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cc(Br)ccc1F
InChIInChI=1S/C14H11BrFNO4/c1-20-13-5-3-11(17(18)19)6-9(13)8-21-14-7-10(15)2-4-12(14)16/h2-7H,8H2,1H3
InChIKeyBNMXOICBPNNNRY-UHFFFAOYSA-N
MW356.15 g/mol
LogP4.08
Rot. Bonds5

About 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene

2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene (PubChem CID 114672725) has the molecular formula C14H11BrFNO4 and a molecular weight of 356.15 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
PubChem CID114672725
Molecular FormulaC14H11BrFNO4
Molecular Weight356.15 g/mol
Exact Mass354.99
IUPAC Name2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1COc1cc(Br)ccc1F
InChIInChI=1S/C14H11BrFNO4/c1-20-13-5-3-11(17(18)19)6-9(13)8-21-14-7-10(15)2-4-12(14)16/h2-7H,8H2,1H3
InChIKeyBNMXOICBPNNNRY-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

1-fluoro-2-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylbenzene
CID 64853757
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
2-[(5-bromo-2-methoxyphenyl)methoxy]-5-nitrobenzaldehyde
CID 8808860
2-[(3-bromo-5-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 81314082
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
2-fluoro-1-[(2-methoxy-5-nitrophenyl)methoxy]-3-methylbenzene
CID 103988326
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
1-[3-[(2-fluoro-4-nitrophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 46484681
2-[(2-methoxy-5-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 83044556
2-[(4-bromo-2-nitrophenyl)methoxy]-1-fluoro-4-methylbenzene
CID 114382699

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene?
The IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene (CID 114672725) is 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene?
The canonical SMILES for 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene is COc1ccc([N+](=O)[O-])cc1COc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene?
The InChIKey is BNMXOICBPNNNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO4/c1-20-13-5-3-11(17(18)19)6-9(13)8-21-14-7-10(15)2-4-12(14)16/h2-7H,8H2,1H3.
What are the key properties of 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene?
2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-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 2-[(5-bromo-2-fluorophenoxy)methyl]-1-methoxy-4-nitrobenzene is sourced from PubChem (CID 114672725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).