1-benzofuran-2-yl(methyl)tin

C9H8OSn — CID 141353931

IUPAC1-benzofuran-2-yl(methyl)tin
SMILESC[Sn]c1cc2ccccc2o1
InChIInChI=1S/C8H5O.CH3.Sn/c1-2-4-8-7(3-1)5-6-9-8;;/h1-5H;1H3;
InChIKeyIWLWFPYSAWNDKY-UHFFFAOYSA-N
MW250.87 g/mol
LogP1.81
Rot. Bonds1

About 1-benzofuran-2-yl(methyl)tin

1-benzofuran-2-yl(methyl)tin (PubChem CID 141353931) has the molecular formula C9H8OSn and a molecular weight of 250.87 g/mol. Its IUPAC name is 1-benzofuran-2-yl(methyl)tin.

Molecular Properties

Compound Name1-benzofuran-2-yl(methyl)tin
PubChem CID141353931
Molecular FormulaC9H8OSn
Molecular Weight250.87 g/mol
Exact Mass251.96
IUPAC Name1-benzofuran-2-yl(methyl)tin
SMILESC[Sn]c1cc2ccccc2o1
InChIInChI=1S/C8H5O.CH3.Sn/c1-2-4-8-7(3-1)5-6-9-8;;/h1-5H;1H3;
InChIKeyIWLWFPYSAWNDKY-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 ≤ 500250.87
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzofuran-2-yl(methyl)tin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzofuran-2-yl(5-butylnonan-5-yl)tin
CID 141133394
N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
2-methylselanyl-1-benzofuran
CID 15896827
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)ethanone
CID 15435
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
1-(1-benzofuran-2-yl)but-2-en-1-ol
CID 150085441
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
2-butan-2-yl-1-benzofuran
CID 12065919
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(methyl)tin?
The IUPAC name of 1-benzofuran-2-yl(methyl)tin (CID 141353931) is 1-benzofuran-2-yl(methyl)tin.
What is the SMILES notation for 1-benzofuran-2-yl(methyl)tin?
The canonical SMILES for 1-benzofuran-2-yl(methyl)tin is C[Sn]c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl(methyl)tin?
The InChIKey is IWLWFPYSAWNDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O.CH3.Sn/c1-2-4-8-7(3-1)5-6-9-8;;/h1-5H;1H3;.
What are the key properties of 1-benzofuran-2-yl(methyl)tin?
1-benzofuran-2-yl(methyl)tin has a molecular weight of 250.87 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 1-benzofuran-2-yl(methyl)tin is sourced from PubChem (CID 141353931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).