2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene

C13H9Br2NO4 — CID 18406541

IUPAC2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H9Br2NO4/c1-19-9-3-4-11(16(17)18)13(7-9)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3
InChIKeyUJBNAWRQUOCLEY-UHFFFAOYSA-N
MW403.03 g/mol
LogP4.92
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene

2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene (PubChem CID 18406541) has the molecular formula C13H9Br2NO4 and a molecular weight of 403.03 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
PubChem CID18406541
Molecular FormulaC13H9Br2NO4
Molecular Weight403.03 g/mol
Exact Mass400.89
IUPAC Name2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H9Br2NO4/c1-19-9-3-4-11(16(17)18)13(7-9)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3
InChIKeyUJBNAWRQUOCLEY-UHFFFAOYSA-N
XLogP4.92
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.03
LogP ≤ 54.92
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-(4-bromo-2-nitrophenoxy)-4-methoxy-2-nitrobenzene
CID 55502713
3-(2-bromo-4-methoxyphenoxy)-4-nitrobenzonitrile
CID 104713265
[4-bromo-2-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702893
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418
2-bromo-4-methoxy-1-(4-nitrophenoxy)benzene
CID 104707690
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
CID 114891095
6-(2,4-dibromophenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80878170
[3-fluoro-4-(5-methoxy-2-nitrophenoxy)phenyl]methanamine
CID 102702881
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene?
The IUPAC name of 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene (CID 18406541) is 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene?
The canonical SMILES for 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene is COc1ccc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)c1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene?
The InChIKey is UJBNAWRQUOCLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO4/c1-19-9-3-4-11(16(17)18)13(7-9)20-12-5-2-8(14)6-10(12)15/h2-7H,1H3.
What are the key properties of 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene?
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene has a molecular weight of 403.03 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene is sourced from PubChem (CID 18406541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).