[phenyl(selanyloxy)methyl]benzene

C13H12OSe — CID 173319425

IUPAC[phenyl(selanyloxy)methyl]benzene
SMILES[SeH]OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12OSe/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyUDXYKRZIKISQER-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.61
Rot. Bonds3

About [phenyl(selanyloxy)methyl]benzene

[phenyl(selanyloxy)methyl]benzene (PubChem CID 173319425) has the molecular formula C13H12OSe and a molecular weight of 263.20 g/mol. Its IUPAC name is [phenyl(selanyloxy)methyl]benzene.

Molecular Properties

Compound Name[phenyl(selanyloxy)methyl]benzene
PubChem CID173319425
Molecular FormulaC13H12OSe
Molecular Weight263.20 g/mol
Exact Mass264.01
IUPAC Name[phenyl(selanyloxy)methyl]benzene
SMILES[SeH]OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12OSe/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15H
InChIKeyUDXYKRZIKISQER-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [phenyl(selanyloxy)methyl]benzene?
The IUPAC name of [phenyl(selanyloxy)methyl]benzene (CID 173319425) is [phenyl(selanyloxy)methyl]benzene.
What is the SMILES notation for [phenyl(selanyloxy)methyl]benzene?
The canonical SMILES for [phenyl(selanyloxy)methyl]benzene is [SeH]OC(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(selanyloxy)methyl]benzene?
The InChIKey is UDXYKRZIKISQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OSe/c15-14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,15H.
What are the key properties of [phenyl(selanyloxy)methyl]benzene?
[phenyl(selanyloxy)methyl]benzene has a molecular weight of 263.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(selanyloxy)methyl]benzene is sourced from PubChem (CID 173319425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).