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

C10H10ClNO3 — CID 887248

IUPAC4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene
SMILESCCOc1ccc(Cl)cc1/C=C/[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO3/c1-2-15-10-4-3-9(11)7-8(10)5-6-12(13)14/h3-7H,2H2,1H3/b6-5+
InChIKeyZTYPLSGMANYUGH-AATRIKPKSA-N
MW227.65 g/mol
LogP2.99
Rot. Bonds4

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

4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene (PubChem CID 887248) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene
PubChem CID887248
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene
SMILESCCOc1ccc(Cl)cc1/C=C/[N+](=O)[O-]
InChIInChI=1S/C10H10ClNO3/c1-2-15-10-4-3-9(11)7-8(10)5-6-12(13)14/h3-7H,2H2,1H3/b6-5+
InChIKeyZTYPLSGMANYUGH-AATRIKPKSA-N
XLogP2.99
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.99
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 4-chloro-1-ethoxy-2-[(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 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene (CID 887248) is 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene is CCOc1ccc(Cl)cc1/C=C/[N+](=O)[O-].
What is the InChIKey of 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene?
The InChIKey is ZTYPLSGMANYUGH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-15-10-4-3-9(11)7-8(10)5-6-12(13)14/h3-7H,2H2,1H3/b6-5+.
What are the key properties of 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene?
4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene has a molecular weight of 227.65 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethoxy-2-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 887248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).