5-methoxyselenophene-2-carbaldehyde

C6H6O2Se — CID 140767478

IUPAC5-methoxyselenophene-2-carbaldehyde
SMILESCOc1ccc(C=O)[se]1
InChIInChI=1S/C6H6O2Se/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChIKeyASUAJBFQUMDEFB-UHFFFAOYSA-N
MW189.07 g/mol
LogP0.56
Rot. Bonds2

About 5-methoxyselenophene-2-carbaldehyde

5-methoxyselenophene-2-carbaldehyde (PubChem CID 140767478) has the molecular formula C6H6O2Se and a molecular weight of 189.07 g/mol. Its IUPAC name is 5-methoxyselenophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxyselenophene-2-carbaldehyde
PubChem CID140767478
Molecular FormulaC6H6O2Se
Molecular Weight189.07 g/mol
Exact Mass189.95
IUPAC Name5-methoxyselenophene-2-carbaldehyde
SMILESCOc1ccc(C=O)[se]1
InChIInChI=1S/C6H6O2Se/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChIKeyASUAJBFQUMDEFB-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyselenophene-2-carbaldehyde?
The IUPAC name of 5-methoxyselenophene-2-carbaldehyde (CID 140767478) is 5-methoxyselenophene-2-carbaldehyde.
What is the SMILES notation for 5-methoxyselenophene-2-carbaldehyde?
The canonical SMILES for 5-methoxyselenophene-2-carbaldehyde is COc1ccc(C=O)[se]1.
What is the InChIKey of 5-methoxyselenophene-2-carbaldehyde?
The InChIKey is ASUAJBFQUMDEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2Se/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3.
What are the key properties of 5-methoxyselenophene-2-carbaldehyde?
5-methoxyselenophene-2-carbaldehyde has a molecular weight of 189.07 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyselenophene-2-carbaldehyde is sourced from PubChem (CID 140767478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).