2-(1-phenylpropyl)selenophene

C13H14Se — CID 175403062

IUPAC2-(1-phenylpropyl)selenophene
SMILESCCC(c1ccccc1)c1ccc[se]1
InChIInChI=1S/C13H14Se/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11/h3-10,12H,2H2,1H3
InChIKeyZXLRGVJUZOVGTP-UHFFFAOYSA-N
MW249.22 g/mol
LogP3.29
Rot. Bonds3

About 2-(1-phenylpropyl)selenophene

2-(1-phenylpropyl)selenophene (PubChem CID 175403062) has the molecular formula C13H14Se and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-(1-phenylpropyl)selenophene.

Molecular Properties

Compound Name2-(1-phenylpropyl)selenophene
PubChem CID175403062
Molecular FormulaC13H14Se
Molecular Weight249.22 g/mol
Exact Mass250.03
IUPAC Name2-(1-phenylpropyl)selenophene
SMILESCCC(c1ccccc1)c1ccc[se]1
InChIInChI=1S/C13H14Se/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11/h3-10,12H,2H2,1H3
InChIKeyZXLRGVJUZOVGTP-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 53.29
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-phenylpropyl)selenophene?
The IUPAC name of 2-(1-phenylpropyl)selenophene (CID 175403062) is 2-(1-phenylpropyl)selenophene.
What is the SMILES notation for 2-(1-phenylpropyl)selenophene?
The canonical SMILES for 2-(1-phenylpropyl)selenophene is CCC(c1ccccc1)c1ccc[se]1.
What is the InChIKey of 2-(1-phenylpropyl)selenophene?
The InChIKey is ZXLRGVJUZOVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Se/c1-2-12(13-9-6-10-14-13)11-7-4-3-5-8-11/h3-10,12H,2H2,1H3.
What are the key properties of 2-(1-phenylpropyl)selenophene?
2-(1-phenylpropyl)selenophene has a molecular weight of 249.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropyl)selenophene is sourced from PubChem (CID 175403062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).