4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium

C18H16NO5+ — CID 21177874

IUPAC4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium
SMILESCCOc1cc(-c2ccc(OC)cc2)[o+]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C18H16NO5/c1-3-23-18-11-17(12-4-7-14(22-2)8-5-12)24-16-9-6-13(19(20)21)10-15(16)18/h4-11H,3H2,1-2H3/q+1
InChIKeySYAGKBZIWZHLMI-UHFFFAOYSA-N
MW326.33 g/mol
LogP4.70
Rot. Bonds5

About 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium

4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium (PubChem CID 21177874) has the molecular formula C18H16NO5+ and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium.

Molecular Properties

Compound Name4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium
PubChem CID21177874
Molecular FormulaC18H16NO5+
Molecular Weight326.33 g/mol
Exact Mass326.10
IUPAC Name4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium
SMILESCCOc1cc(-c2ccc(OC)cc2)[o+]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C18H16NO5/c1-3-23-18-11-17(12-4-7-14(22-2)8-5-12)24-16-9-6-13(19(20)21)10-15(16)18/h4-11H,3H2,1-2H3/q+1
InChIKeySYAGKBZIWZHLMI-UHFFFAOYSA-N
XLogP4.70
TPSA72.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium
CID 21177882
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
4-ethoxy-2-(4-methoxyphenyl)benzo[h]chromen-1-ium chloride
CID 2849208
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
2-(4-ethoxyphenoxy)-5-nitroaniline
CID 62506652
1-[4-(2,4-dinitrophenoxy)-3-ethoxy-5-iodophenyl]-N-(4-methoxyphenyl)methanimine
CID 126219437
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
3-ethoxy-5-nitro-1-benzothiophene
CID 119081996
ethane;1-ethoxy-4-nitrobenzene;methane;1-methoxy-4-nitrobenzene;4-nitrophenol
CID 158868272
[2-(4-methoxyphenyl)-4-nitrophenyl] hydrogen carbonate
CID 22133672
1-[12-[4-(4-methoxyphenyl)phenoxy]dodecoxy]-2,4-dinitrobenzene
CID 57220439

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium?
The IUPAC name of 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium (CID 21177874) is 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium.
What is the SMILES notation for 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium?
The canonical SMILES for 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium is CCOc1cc(-c2ccc(OC)cc2)[o+]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium?
The InChIKey is SYAGKBZIWZHLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO5/c1-3-23-18-11-17(12-4-7-14(22-2)8-5-12)24-16-9-6-13(19(20)21)10-15(16)18/h4-11H,3H2,1-2H3/q+1.
What are the key properties of 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium?
4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium has a molecular weight of 326.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium is sourced from PubChem (CID 21177874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).