1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene

C16H16N2O7 — CID 2748735

IUPAC1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
SMILESO=[N+]([O-])c1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O7/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2
InChIKeyLXYSDLCOBFQJMX-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.98
Rot. Bonds10

About 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene

1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene (PubChem CID 2748735) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
PubChem CID2748735
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
SMILESO=[N+]([O-])c1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O7/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2
InChIKeyLXYSDLCOBFQJMX-UHFFFAOYSA-N
XLogP2.98
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
CID 163874008
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
trimethyl-[3-(2-nitrophenoxy)propyl]azanium
CID 57430028
1-(2-nitrophenyl)-N-[2-[2-[2-[2-[2-[(2-nitrophenyl)methylideneamino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanimine
CID 3758923
5-(2-nitrophenoxy)pentanoic acid
CID 28971679

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene (CID 2748735) is 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene is O=[N+]([O-])c1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene?
The InChIKey is LXYSDLCOBFQJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7/c19-17(20)13-5-1-3-7-15(13)24-11-9-23-10-12-25-16-8-4-2-6-14(16)18(21)22/h1-8H,9-12H2.
What are the key properties of 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene?
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene has a molecular weight of 348.31 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 2748735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).