4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene

C11H15NO4 — CID 56791150

IUPAC4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
SMILESCCc1ccc(OCCOC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15NO4/c1-3-9-4-5-11(16-7-6-15-2)10(8-9)12(13)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyCGINHLGJQDLAEZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.18
Rot. Bonds6

About 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene

4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene (PubChem CID 56791150) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene.

Molecular Properties

Compound Name4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
PubChem CID56791150
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
SMILESCCc1ccc(OCCOC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15NO4/c1-3-9-4-5-11(16-7-6-15-2)10(8-9)12(13)14/h4-5,8H,3,6-7H2,1-2H3
InChIKeyCGINHLGJQDLAEZ-UHFFFAOYSA-N
XLogP2.18
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-ethyl-2-nitro-1-pent-4-ynoxybenzene
CID 112548324
N-[[4-(2-methoxyethoxy)-3-nitrophenyl]methyl]-2-methylpropan-1-amine
CID 63058393
trifluoro-[4-(2-methoxyethoxy)-3-nitrophenyl]boranuide
CID 75176094
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
4-(4-ethyl-2-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 65256820
4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
CID 65490146
1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380
N-[[4-(4-methoxybutoxy)-3-nitrophenyl]methyl]propan-1-amine
CID 104646887
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
[3-(2-methoxyethoxy)-4-nitrophenyl]methanamine
CID 62115319
4-(chloromethyl)-2-nitro-1-pentoxybenzene
CID 14143299
1-fluoro-4-iodo-2-nitrobenzene;4-iodo-1-(2-methoxyethoxy)-2-nitrobenzene
CID 158839893

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene?
The IUPAC name of 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene (CID 56791150) is 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene.
What is the SMILES notation for 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene?
The canonical SMILES for 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene is CCc1ccc(OCCOC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene?
The InChIKey is CGINHLGJQDLAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-9-4-5-11(16-7-6-15-2)10(8-9)12(13)14/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene?
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene has a molecular weight of 225.24 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene is sourced from PubChem (CID 56791150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).