hydroxyselanylbenzene

C6H6OSe — CID 15579745

IUPAChydroxyselanylbenzene
SMILESO[Se]c1ccccc1
InChIInChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H
InChIKeyKUVIBICSCQYQOE-UHFFFAOYSA-N
MW173.07 g/mol
LogP-0.08
Rot. Bonds1

About hydroxyselanylbenzene

hydroxyselanylbenzene (PubChem CID 15579745) has the molecular formula C6H6OSe and a molecular weight of 173.07 g/mol. Its IUPAC name is hydroxyselanylbenzene.

Molecular Properties

Compound Namehydroxyselanylbenzene
PubChem CID15579745
Molecular FormulaC6H6OSe
Molecular Weight173.07 g/mol
Exact Mass173.96
IUPAC Namehydroxyselanylbenzene
SMILESO[Se]c1ccccc1
InChIInChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H
InChIKeyKUVIBICSCQYQOE-UHFFFAOYSA-N
XLogP-0.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.07
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
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 hydroxyselanylbenzene?
The IUPAC name of hydroxyselanylbenzene (CID 15579745) is hydroxyselanylbenzene.
What is the SMILES notation for hydroxyselanylbenzene?
The canonical SMILES for hydroxyselanylbenzene is O[Se]c1ccccc1.
What is the InChIKey of hydroxyselanylbenzene?
The InChIKey is KUVIBICSCQYQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of hydroxyselanylbenzene?
hydroxyselanylbenzene has a molecular weight of 173.07 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxyselanylbenzene is sourced from PubChem (CID 15579745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).