1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene

C14H12N2O5 — CID 11335211

IUPAC1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene
SMILESO=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O5/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2
InChIKeyVJJRVNGOHNKPHB-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.22
Rot. Bonds6

About 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene

1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene (PubChem CID 11335211) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene
PubChem CID11335211
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene
SMILESO=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O5/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2
InChIKeyVJJRVNGOHNKPHB-UHFFFAOYSA-N
XLogP3.22
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene?
The IUPAC name of 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene (CID 11335211) is 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene?
The canonical SMILES for 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene is O=[N+]([O-])c1ccc(COCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene?
The InChIKey is VJJRVNGOHNKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2.
What are the key properties of 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene?
1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene has a molecular weight of 288.26 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(4-nitrophenyl)methoxymethyl]benzene is sourced from PubChem (CID 11335211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).