2-phenylpropaneselenal

C9H10Se — CID 141365712

IUPAC2-phenylpropaneselenal
SMILESCC(C=[Se])c1ccccc1
InChIInChI=1S/C9H10Se/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWOMYSLUQVLAZNP-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.76
Rot. Bonds2

About 2-phenylpropaneselenal

2-phenylpropaneselenal (PubChem CID 141365712) has the molecular formula C9H10Se and a molecular weight of 197.14 g/mol. Its IUPAC name is 2-phenylpropaneselenal.

Molecular Properties

Compound Name2-phenylpropaneselenal
PubChem CID141365712
Molecular FormulaC9H10Se
Molecular Weight197.14 g/mol
Exact Mass197.99
IUPAC Name2-phenylpropaneselenal
SMILESCC(C=[Se])c1ccccc1
InChIInChI=1S/C9H10Se/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyWOMYSLUQVLAZNP-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 12697650
(E)-3-phenylbut-1-en-1-amine
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copper;cumene;manganese
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1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 142851428
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
[(Z)-4-methoxybut-3-en-2-yl]benzene
CID 10558945
[(E)-5,5-di(propan-2-yloxy)pent-3-en-2-yl]benzene
CID 21423450
(Z)-4-phenylpent-2-en-1-ol
CID 10725679
5-chloropent-3-en-2-ylbenzene
CID 71345200

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropaneselenal?
The IUPAC name of 2-phenylpropaneselenal (CID 141365712) is 2-phenylpropaneselenal.
What is the SMILES notation for 2-phenylpropaneselenal?
The canonical SMILES for 2-phenylpropaneselenal is CC(C=[Se])c1ccccc1.
What is the InChIKey of 2-phenylpropaneselenal?
The InChIKey is WOMYSLUQVLAZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Se/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-phenylpropaneselenal?
2-phenylpropaneselenal has a molecular weight of 197.14 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropaneselenal is sourced from PubChem (CID 141365712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).