1-nitro-4-(4-nitrophenoxy)benzene

C12H8N2O5 — CID 7568

IUPAC1-nitro-4-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChIKeyMWAGUKZCDDRDCS-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.30
Rot. Bonds4

About 1-nitro-4-(4-nitrophenoxy)benzene

1-nitro-4-(4-nitrophenoxy)benzene (PubChem CID 7568) has the molecular formula C12H8N2O5 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-nitro-4-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-nitro-4-(4-nitrophenoxy)benzene
PubChem CID7568
Molecular FormulaC12H8N2O5
Molecular Weight260.21 g/mol
Exact Mass260.04
IUPAC Name1-nitro-4-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChIKeyMWAGUKZCDDRDCS-UHFFFAOYSA-N
XLogP3.30
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4,4'-Diaminodiphenyl Ether
CID 7579
4-Nitroanisole
CID 7485
Nitroscanate
CID 68547
2-((4-Nitrophenoxy)methyl)oxirane
CID 21327
4-Nitrophenetol
CID 7495
4-Nitrophenyl Acetate
CID 13243
1-Nitro-4-phenoxybenzene
CID 12110
2-Nitrophenyl phenyl ether
CID 16661
4,4'-Dimethoxyazoxybenzene
CID 15277
p-Nitrophenyl o-tolyl ether
CID 17123
5-Nitro-2-propoxyaniline
CID 11118
4-Nitrophenyl butyrate
CID 75834

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-(4-nitrophenoxy)benzene?
The IUPAC name of 1-nitro-4-(4-nitrophenoxy)benzene (CID 7568) is 1-nitro-4-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-nitro-4-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-nitro-4-(4-nitrophenoxy)benzene is O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-nitro-4-(4-nitrophenoxy)benzene?
The InChIKey is MWAGUKZCDDRDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H.
What are the key properties of 1-nitro-4-(4-nitrophenoxy)benzene?
1-nitro-4-(4-nitrophenoxy)benzene has a molecular weight of 260.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-(4-nitrophenoxy)benzene is sourced from PubChem (CID 7568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).