2-(1-phenylethyl)selenophene

C12H12Se — CID 173115805

IUPAC2-(1-phenylethyl)selenophene
SMILESCC(c1ccccc1)c1ccc[se]1
InChIInChI=1S/C12H12Se/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyPLYPLKUCDRVYEB-UHFFFAOYSA-N
MW235.19 g/mol
LogP2.90
Rot. Bonds2

About 2-(1-phenylethyl)selenophene

2-(1-phenylethyl)selenophene (PubChem CID 173115805) has the molecular formula C12H12Se and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-(1-phenylethyl)selenophene.

Molecular Properties

Compound Name2-(1-phenylethyl)selenophene
PubChem CID173115805
Molecular FormulaC12H12Se
Molecular Weight235.19 g/mol
Exact Mass236.01
IUPAC Name2-(1-phenylethyl)selenophene
SMILESCC(c1ccccc1)c1ccc[se]1
InChIInChI=1S/C12H12Se/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyPLYPLKUCDRVYEB-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(1-phenylethyl)selenophene?
The IUPAC name of 2-(1-phenylethyl)selenophene (CID 173115805) is 2-(1-phenylethyl)selenophene.
What is the SMILES notation for 2-(1-phenylethyl)selenophene?
The canonical SMILES for 2-(1-phenylethyl)selenophene is CC(c1ccccc1)c1ccc[se]1.
What is the InChIKey of 2-(1-phenylethyl)selenophene?
The InChIKey is PLYPLKUCDRVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Se/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 2-(1-phenylethyl)selenophene?
2-(1-phenylethyl)selenophene has a molecular weight of 235.19 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)selenophene is sourced from PubChem (CID 173115805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).