4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene

C16H16N2O7 — CID 174451307

IUPAC4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene
SMILESCOCc1ccc(Oc2ccc(COC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O7/c1-23-9-11-3-5-15(13(7-11)17(19)20)25-16-6-4-12(10-24-2)8-14(16)18(21)22/h3-8H,9-10H2,1-2H3
InChIKeyXYEQLMNOMDYIRU-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.59
Rot. Bonds8

About 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene

4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene (PubChem CID 174451307) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene
PubChem CID174451307
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene
SMILESCOCc1ccc(Oc2ccc(COC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O7/c1-23-9-11-3-5-15(13(7-11)17(19)20)25-16-6-4-12(10-24-2)8-14(16)18(21)22/h3-8H,9-10H2,1-2H3
InChIKeyXYEQLMNOMDYIRU-UHFFFAOYSA-N
XLogP3.59
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-ethyl-4-(methoxymethyl)-2-nitrobenzene
CID 12708566
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
4-[(3,5-dimethylphenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 60772192
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
CID 11735902
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
2-[(4-methoxy-3-nitrophenyl)methoxy]-N-methylethanamine
CID 62336435
[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
CID 28964150
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661
(2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]propanoic acid
CID 104875231
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene?
The IUPAC name of 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene (CID 174451307) is 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene.
What is the SMILES notation for 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene?
The canonical SMILES for 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene is COCc1ccc(Oc2ccc(COC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene?
The InChIKey is XYEQLMNOMDYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7/c1-23-9-11-3-5-15(13(7-11)17(19)20)25-16-6-4-12(10-24-2)8-14(16)18(21)22/h3-8H,9-10H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene?
4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene has a molecular weight of 348.31 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[4-(methoxymethyl)-2-nitrophenoxy]-2-nitrobenzene is sourced from PubChem (CID 174451307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).