2-methylselanyl-1-benzofuran

C9H8OSe — CID 15896827

IUPAC2-methylselanyl-1-benzofuran
SMILESC[Se]c1cc2ccccc2o1
InChIInChI=1S/C9H8OSe/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6H,1H3
InChIKeyGFTAHFUGSOZVRT-UHFFFAOYSA-N
MW211.12 g/mol
LogP1.81
Rot. Bonds1

About 2-methylselanyl-1-benzofuran

2-methylselanyl-1-benzofuran (PubChem CID 15896827) has the molecular formula C9H8OSe and a molecular weight of 211.12 g/mol. Its IUPAC name is 2-methylselanyl-1-benzofuran.

Molecular Properties

Compound Name2-methylselanyl-1-benzofuran
PubChem CID15896827
Molecular FormulaC9H8OSe
Molecular Weight211.12 g/mol
Exact Mass211.97
IUPAC Name2-methylselanyl-1-benzofuran
SMILESC[Se]c1cc2ccccc2o1
InChIInChI=1S/C9H8OSe/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6H,1H3
InChIKeyGFTAHFUGSOZVRT-UHFFFAOYSA-N
XLogP1.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
1-benzofuran-2-yl(methyl)tin
CID 141353931
1-(1-benzofuran-2-yl)ethanone
CID 15435
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
ethane;10-methyl-9-oxatricyclo[11.4.0.03,8]heptadeca-1,3,5,7,10,12,14,16-octaene
CID 156745259
(E)-but-2-ene;ethane;2-methyl-1-benzofuran
CID 143997020
CID 156725408
CID 156725408
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-butan-2-yl-1-benzofuran
CID 12065919
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109

Frequently Asked Questions

What is the IUPAC name of 2-methylselanyl-1-benzofuran?
The IUPAC name of 2-methylselanyl-1-benzofuran (CID 15896827) is 2-methylselanyl-1-benzofuran.
What is the SMILES notation for 2-methylselanyl-1-benzofuran?
The canonical SMILES for 2-methylselanyl-1-benzofuran is C[Se]c1cc2ccccc2o1.
What is the InChIKey of 2-methylselanyl-1-benzofuran?
The InChIKey is GFTAHFUGSOZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OSe/c1-11-9-6-7-4-2-3-5-8(7)10-9/h2-6H,1H3.
What are the key properties of 2-methylselanyl-1-benzofuran?
2-methylselanyl-1-benzofuran has a molecular weight of 211.12 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanyl-1-benzofuran is sourced from PubChem (CID 15896827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).