4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene

C14H11BrClNO3 — CID 69023273

IUPAC4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(OCCc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C14H11BrClNO3/c15-11-3-1-10(2-4-11)7-8-20-12-5-6-13(16)14(9-12)17(18)19/h1-6,9H,7-8H2
InChIKeyQNGZTESJQGAZKO-UHFFFAOYSA-N
MW356.60 g/mol
LogP4.63
Rot. Bonds5

About 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene

4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene (PubChem CID 69023273) has the molecular formula C14H11BrClNO3 and a molecular weight of 356.60 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene
PubChem CID69023273
Molecular FormulaC14H11BrClNO3
Molecular Weight356.60 g/mol
Exact Mass354.96
IUPAC Name4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(OCCc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C14H11BrClNO3/c15-11-3-1-10(2-4-11)7-8-20-12-5-6-13(16)14(9-12)17(18)19/h1-6,9H,7-8H2
InChIKeyQNGZTESJQGAZKO-UHFFFAOYSA-N
XLogP4.63
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene?
The IUPAC name of 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene (CID 69023273) is 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene.
What is the SMILES notation for 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene?
The canonical SMILES for 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene is O=[N+]([O-])c1cc(OCCc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene?
The InChIKey is QNGZTESJQGAZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO3/c15-11-3-1-10(2-4-11)7-8-20-12-5-6-13(16)14(9-12)17(18)19/h1-6,9H,7-8H2.
What are the key properties of 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene?
4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene has a molecular weight of 356.60 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene is sourced from PubChem (CID 69023273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).