2,4-dichloro-1-(4-nitrophenoxy)benzene

C12H7Cl2NO3 — CID 15787

IUPAC2,4-dichloro-1-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
InChIKeyXITQUSLLOSKDTB-UHFFFAOYSA-N
MW284.10 g/mol
LogP4.69
Rot. Bonds3

About 2,4-dichloro-1-(4-nitrophenoxy)benzene

2,4-dichloro-1-(4-nitrophenoxy)benzene (PubChem CID 15787) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 2,4-dichloro-1-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(4-nitrophenoxy)benzene
PubChem CID15787
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name2,4-dichloro-1-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
InChIKeyXITQUSLLOSKDTB-UHFFFAOYSA-N
XLogP4.69
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 54.69
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 2,4-dichloro-1-(4-nitrophenoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(4-nitrophenoxy)benzene (CID 15787) is 2,4-dichloro-1-(4-nitrophenoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(4-nitrophenoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(4-nitrophenoxy)benzene is O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-(4-nitrophenoxy)benzene?
The InChIKey is XITQUSLLOSKDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H.
What are the key properties of 2,4-dichloro-1-(4-nitrophenoxy)benzene?
2,4-dichloro-1-(4-nitrophenoxy)benzene has a molecular weight of 284.10 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(4-nitrophenoxy)benzene is sourced from PubChem (CID 15787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).