1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene

C18H21NO6 — CID 2283926

IUPAC1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
SMILESCCOc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21NO6/c1-2-23-17-9-5-6-10-18(17)25-14-12-22-11-13-24-16-8-4-3-7-15(16)19(20)21/h3-10H,2,11-14H2,1H3
InChIKeyIOJGTDMWQCPCKY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.47
Rot. Bonds11

About 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene

1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene (PubChem CID 2283926) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
PubChem CID2283926
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
SMILESCCOc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H21NO6/c1-2-23-17-9-5-6-10-18(17)25-14-12-22-11-13-24-16-8-4-3-7-15(16)19(20)21/h3-10H,2,11-14H2,1H3
InChIKeyIOJGTDMWQCPCKY-UHFFFAOYSA-N
XLogP3.47
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
2-[2-(2-nitrophenoxy)ethoxy]ethyl hypochlorite
CID 163874008
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
1-[3-(2-ethoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2285595
2-butoxy-N,N-bis[2-(2-nitrophenoxy)ethyl]ethanamine
CID 10789581
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
3-(2-nitrophenoxy)propan-1-ol
CID 18791292

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene?
The IUPAC name of 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene (CID 2283926) is 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene.
What is the SMILES notation for 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene?
The canonical SMILES for 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene is CCOc1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene?
The InChIKey is IOJGTDMWQCPCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-2-23-17-9-5-6-10-18(17)25-14-12-22-11-13-24-16-8-4-3-7-15(16)19(20)21/h3-10H,2,11-14H2,1H3.
What are the key properties of 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene?
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene has a molecular weight of 347.37 g/mol, XLogP of 3.47, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene is sourced from PubChem (CID 2283926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).