2-phenylselanylethanol

C8H10OSe — CID 11030856

IUPAC2-phenylselanylethanol
SMILESOCC[Se]c1ccccc1
InChIInChI=1S/C8H10OSe/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyXTLTYLKXJNZCLR-UHFFFAOYSA-N
MW201.13 g/mol
LogP0.43
Rot. Bonds3

About 2-phenylselanylethanol

2-phenylselanylethanol (PubChem CID 11030856) has the molecular formula C8H10OSe and a molecular weight of 201.13 g/mol. Its IUPAC name is 2-phenylselanylethanol.

Molecular Properties

Compound Name2-phenylselanylethanol
PubChem CID11030856
Molecular FormulaC8H10OSe
Molecular Weight201.13 g/mol
Exact Mass201.99
IUPAC Name2-phenylselanylethanol
SMILESOCC[Se]c1ccccc1
InChIInChI=1S/C8H10OSe/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyXTLTYLKXJNZCLR-UHFFFAOYSA-N
XLogP0.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 50.43
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 2-phenylselanylethanol?
The IUPAC name of 2-phenylselanylethanol (CID 11030856) is 2-phenylselanylethanol.
What is the SMILES notation for 2-phenylselanylethanol?
The canonical SMILES for 2-phenylselanylethanol is OCC[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanylethanol?
The InChIKey is XTLTYLKXJNZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OSe/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-phenylselanylethanol?
2-phenylselanylethanol has a molecular weight of 201.13 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylethanol is sourced from PubChem (CID 11030856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).