2-phenylselenyl benzaldehyde

C13H9OSe — CID 166637347

IUPAC—
SMILESO=Cc1cccc([Se])c1-c1ccccc1
InChIInChI=1S/C13H9OSe/c14-9-11-7-4-8-12(15)13(11)10-5-2-1-3-6-10/h1-9H
InChIKeyHLFRLSUYQXJRKJ-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.96
Rot. Bonds2

About 2-phenylselenyl benzaldehyde

2-phenylselenyl benzaldehyde (PubChem CID 166637347) has the molecular formula C13H9OSe and a molecular weight of 260.17 g/mol.

Molecular Properties

Compound Name2-phenylselenyl benzaldehyde
PubChem CID166637347
Molecular FormulaC13H9OSe
Molecular Weight260.17 g/mol
Exact Mass260.98
IUPAC Name—
SMILESO=Cc1cccc([Se])c1-c1ccccc1
InChIInChI=1S/C13H9OSe/c14-9-11-7-4-8-12(15)13(11)10-5-2-1-3-6-10/h1-9H
InChIKeyHLFRLSUYQXJRKJ-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-phenylselenyl benzaldehyde?
The IUPAC name of 2-phenylselenyl benzaldehyde (CID 166637347) is not available.
What is the SMILES notation for 2-phenylselenyl benzaldehyde?
The canonical SMILES for 2-phenylselenyl benzaldehyde is O=Cc1cccc([Se])c1-c1ccccc1.
What is the InChIKey of 2-phenylselenyl benzaldehyde?
The InChIKey is HLFRLSUYQXJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9OSe/c14-9-11-7-4-8-12(15)13(11)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-phenylselenyl benzaldehyde?
2-phenylselenyl benzaldehyde has a molecular weight of 260.17 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselenyl benzaldehyde is sourced from PubChem (CID 166637347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).