1-ethenoxy-4-ethyl-2-nitrobenzene

C10H11NO3 — CID 66367399

IUPAC1-ethenoxy-4-ethyl-2-nitrobenzene
SMILESC=COc1ccc(CC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO3/c1-3-8-5-6-10(14-4-2)9(7-8)11(12)13/h4-7H,2-3H2,1H3
InChIKeyJYJXQYSOVNTHFN-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.68
Rot. Bonds4

About 1-ethenoxy-4-ethyl-2-nitrobenzene

1-ethenoxy-4-ethyl-2-nitrobenzene (PubChem CID 66367399) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-ethenoxy-4-ethyl-2-nitrobenzene.

Molecular Properties

Compound Name1-ethenoxy-4-ethyl-2-nitrobenzene
PubChem CID66367399
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-ethenoxy-4-ethyl-2-nitrobenzene
SMILESC=COc1ccc(CC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11NO3/c1-3-8-5-6-10(14-4-2)9(7-8)11(12)13/h4-7H,2-3H2,1H3
InChIKeyJYJXQYSOVNTHFN-UHFFFAOYSA-N
XLogP2.68
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
4-ethyl-2-nitro-1-pent-4-ynoxybenzene
CID 112548324
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
ethyl 2-(4-ethyl-2-nitrophenoxy)-2-fluoroacetate
CID 79356770
2-(4-ethyl-2-nitrophenoxy)-5-methylbenzonitrile
CID 107928213
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510784
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
4-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29053395

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-4-ethyl-2-nitrobenzene?
The IUPAC name of 1-ethenoxy-4-ethyl-2-nitrobenzene (CID 66367399) is 1-ethenoxy-4-ethyl-2-nitrobenzene.
What is the SMILES notation for 1-ethenoxy-4-ethyl-2-nitrobenzene?
The canonical SMILES for 1-ethenoxy-4-ethyl-2-nitrobenzene is C=COc1ccc(CC)cc1[N+](=O)[O-].
What is the InChIKey of 1-ethenoxy-4-ethyl-2-nitrobenzene?
The InChIKey is JYJXQYSOVNTHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-8-5-6-10(14-4-2)9(7-8)11(12)13/h4-7H,2-3H2,1H3.
What are the key properties of 1-ethenoxy-4-ethyl-2-nitrobenzene?
1-ethenoxy-4-ethyl-2-nitrobenzene has a molecular weight of 193.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-ethyl-2-nitrobenzene is sourced from PubChem (CID 66367399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).