4-(4-ethoxyphenyl)selenadiazole

C10H10N2OSe — CID 4047770

IUPAC4-(4-ethoxyphenyl)selenadiazole
SMILESCCOc1ccc(-c2c[se]nn2)cc1
InChIInChI=1S/C10H10N2OSe/c1-2-13-9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,2H2,1H3
InChIKeyRHCINXRKBBLSRE-UHFFFAOYSA-N
MW253.16 g/mol
LogP1.60
Rot. Bonds3

About 4-(4-ethoxyphenyl)selenadiazole

4-(4-ethoxyphenyl)selenadiazole (PubChem CID 4047770) has the molecular formula C10H10N2OSe and a molecular weight of 253.16 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)selenadiazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)selenadiazole
PubChem CID4047770
Molecular FormulaC10H10N2OSe
Molecular Weight253.16 g/mol
Exact Mass254.00
IUPAC Name4-(4-ethoxyphenyl)selenadiazole
SMILESCCOc1ccc(-c2c[se]nn2)cc1
InChIInChI=1S/C10H10N2OSe/c1-2-13-9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,2H2,1H3
InChIKeyRHCINXRKBBLSRE-UHFFFAOYSA-N
XLogP1.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)selenadiazole?
The IUPAC name of 4-(4-ethoxyphenyl)selenadiazole (CID 4047770) is 4-(4-ethoxyphenyl)selenadiazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)selenadiazole?
The canonical SMILES for 4-(4-ethoxyphenyl)selenadiazole is CCOc1ccc(-c2c[se]nn2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)selenadiazole?
The InChIKey is RHCINXRKBBLSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OSe/c1-2-13-9-5-3-8(4-6-9)10-7-14-12-11-10/h3-7H,2H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)selenadiazole?
4-(4-ethoxyphenyl)selenadiazole has a molecular weight of 253.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)selenadiazole is sourced from PubChem (CID 4047770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).