1-ethoxy-4-[(E)-2-nitroethenyl]benzene

C10H11NO3 — CID 762460

IUPAC1-ethoxy-4-[(E)-2-nitroethenyl]benzene
SMILESCCOc1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H11NO3/c1-2-14-10-5-3-9(4-6-10)7-8-11(12)13/h3-8H,2H2,1H3/b8-7+
InChIKeyLCRQRRBRHHLEHO-BQYQJAHWSA-N
MW193.20 g/mol
LogP2.33
Rot. Bonds4

About 1-ethoxy-4-[(E)-2-nitroethenyl]benzene

1-ethoxy-4-[(E)-2-nitroethenyl]benzene (PubChem CID 762460) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-ethoxy-4-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[(E)-2-nitroethenyl]benzene
PubChem CID762460
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-ethoxy-4-[(E)-2-nitroethenyl]benzene
SMILESCCOc1ccc(/C=C/[N+](=O)[O-])cc1
InChIInChI=1S/C10H11NO3/c1-2-14-10-5-3-9(4-6-10)7-8-11(12)13/h3-8H,2H2,1H3/b8-7+
InChIKeyLCRQRRBRHHLEHO-BQYQJAHWSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethoxy-4-[(E)-2-nitroethenyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-ethoxy-4-[(E)-2-nitroethenyl]benzene (CID 762460) is 1-ethoxy-4-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-ethoxy-4-[(E)-2-nitroethenyl]benzene is CCOc1ccc(/C=C/[N+](=O)[O-])cc1.
What is the InChIKey of 1-ethoxy-4-[(E)-2-nitroethenyl]benzene?
The InChIKey is LCRQRRBRHHLEHO-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-10-5-3-9(4-6-10)7-8-11(12)13/h3-8H,2H2,1H3/b8-7+.
What are the key properties of 1-ethoxy-4-[(E)-2-nitroethenyl]benzene?
1-ethoxy-4-[(E)-2-nitroethenyl]benzene has a molecular weight of 193.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 762460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).