2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene

C13H20O4Se — CID 20729123

IUPAC2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
SMILESCOc1ccc([Se]CCOC(C)OC)c(OC)c1
InChIInChI=1S/C13H20O4Se/c1-10(14-2)17-7-8-18-13-6-5-11(15-3)9-12(13)16-4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyCDEMJFVUMJEOBX-UHFFFAOYSA-N
MW319.26 g/mol
LogP1.46
Rot. Bonds8

About 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene

2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene (PubChem CID 20729123) has the molecular formula C13H20O4Se and a molecular weight of 319.26 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
PubChem CID20729123
Molecular FormulaC13H20O4Se
Molecular Weight319.26 g/mol
Exact Mass320.05
IUPAC Name2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene
SMILESCOc1ccc([Se]CCOC(C)OC)c(OC)c1
InChIInChI=1S/C13H20O4Se/c1-10(14-2)17-7-8-18-13-6-5-11(15-3)9-12(13)16-4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyCDEMJFVUMJEOBX-UHFFFAOYSA-N
XLogP1.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]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 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene (CID 20729123) is 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene is COc1ccc([Se]CCOC(C)OC)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
The InChIKey is CDEMJFVUMJEOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4Se/c1-10(14-2)17-7-8-18-13-6-5-11(15-3)9-12(13)16-4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene?
2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene has a molecular weight of 319.26 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[2-(1-methoxyethoxy)ethylselanyl]benzene is sourced from PubChem (CID 20729123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).