4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene

C14H12N2O5 — CID 41459081

IUPAC4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
SMILESCc1ccc([N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-10-6-7-13(16(19)20)14(8-10)21-9-11-4-2-3-5-12(11)15(17)18/h2-8H,9H2,1H3
InChIKeyHUKJSDDTAXIXEM-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.39
Rot. Bonds5

About 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene

4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene (PubChem CID 41459081) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
PubChem CID41459081
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
SMILESCc1ccc([N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-10-6-7-13(16(19)20)14(8-10)21-9-11-4-2-3-5-12(11)15(17)18/h2-8H,9H2,1H3
InChIKeyHUKJSDDTAXIXEM-UHFFFAOYSA-N
XLogP3.39
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.39
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-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
2-[(5-methyl-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030527
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
CID 112842745
1-bromo-2,5-dimethoxy-4-[(5-methyl-2-nitrophenoxy)methyl]benzene
CID 36632094
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 54915748
4-methyl-3-[(2-nitrophenyl)methoxy]benzonitrile
CID 103760077
5-methyl-4-[(5-methyl-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 80725149
2-[(2-fluoro-5-methylphenoxy)methyl]-N-methyl-6-nitroaniline
CID 107352413

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene?
The IUPAC name of 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene (CID 41459081) is 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene?
The canonical SMILES for 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene is Cc1ccc([N+](=O)[O-])c(OCc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene?
The InChIKey is HUKJSDDTAXIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-10-6-7-13(16(19)20)14(8-10)21-9-11-4-2-3-5-12(11)15(17)18/h2-8H,9H2,1H3.
What are the key properties of 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene?
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene has a molecular weight of 288.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 41459081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).