1-phenylethaneselone

C8H8Se — CID 21319756

IUPAC1-phenylethaneselone
SMILESCC(=[Se])c1ccccc1
InChIInChI=1S/C8H8Se/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyADENURIBLSPVCD-UHFFFAOYSA-N
MW183.11 g/mol
LogP1.40
Rot. Bonds1

About 1-phenylethaneselone

1-phenylethaneselone (PubChem CID 21319756) has the molecular formula C8H8Se and a molecular weight of 183.11 g/mol. Its IUPAC name is 1-phenylethaneselone.

Molecular Properties

Compound Name1-phenylethaneselone
PubChem CID21319756
Molecular FormulaC8H8Se
Molecular Weight183.11 g/mol
Exact Mass183.98
IUPAC Name1-phenylethaneselone
SMILESCC(=[Se])c1ccccc1
InChIInChI=1S/C8H8Se/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyADENURIBLSPVCD-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.11
LogP ≤ 51.40
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

CID 136814237
CID 136814237
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
1-phenylethylideneazanide;ruthenium(1+)
CID 59356813
prop-1-en-2-ylbenzene;silane
CID 174724970
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
(Z)-1,2-diphenylethene-1,2-diol
CID 11012436
CID 12505640
CID 12505640

Frequently Asked Questions

What is the IUPAC name of 1-phenylethaneselone?
The IUPAC name of 1-phenylethaneselone (CID 21319756) is 1-phenylethaneselone.
What is the SMILES notation for 1-phenylethaneselone?
The canonical SMILES for 1-phenylethaneselone is CC(=[Se])c1ccccc1.
What is the InChIKey of 1-phenylethaneselone?
The InChIKey is ADENURIBLSPVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Se/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1-phenylethaneselone?
1-phenylethaneselone has a molecular weight of 183.11 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethaneselone is sourced from PubChem (CID 21319756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).