1-(iodomethyl)-1,3-dihydro-2-benzofuran

C9H9IO — CID 138756847

IUPAC1-(iodomethyl)-1,3-dihydro-2-benzofuran
SMILESICC1OCc2ccccc21
InChIInChI=1S/C9H9IO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,5-6H2
InChIKeyJBGKCFUHFLCMGL-UHFFFAOYSA-N
MW260.07 g/mol
LogP2.69
Rot. Bonds1

About 1-(iodomethyl)-1,3-dihydro-2-benzofuran

1-(iodomethyl)-1,3-dihydro-2-benzofuran (PubChem CID 138756847) has the molecular formula C9H9IO and a molecular weight of 260.07 g/mol. Its IUPAC name is 1-(iodomethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name1-(iodomethyl)-1,3-dihydro-2-benzofuran
PubChem CID138756847
Molecular FormulaC9H9IO
Molecular Weight260.07 g/mol
Exact Mass259.97
IUPAC Name1-(iodomethyl)-1,3-dihydro-2-benzofuran
SMILESICC1OCc2ccccc21
InChIInChI=1S/C9H9IO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,5-6H2
InChIKeyJBGKCFUHFLCMGL-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(iodomethyl)-1,3-dihydro-2-benzofuran 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-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
3-(1,3-dihydro-2-benzofuran-1-yl)propan-1-ol
CID 57246882
1-(nitrosomethyl)-1,3-dihydro-2-benzofuran
CID 90959977
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 14230259
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
1-[(E)-non-3-enyl]-1,3-dihydro-2-benzofuran
CID 10729009
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
N-methyl-1,3-dihydro-2-benzofuran-1-amine
CID 141076317
(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
CID 11119699
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 1-(iodomethyl)-1,3-dihydro-2-benzofuran (CID 138756847) is 1-(iodomethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 1-(iodomethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 1-(iodomethyl)-1,3-dihydro-2-benzofuran is ICC1OCc2ccccc21.
What is the InChIKey of 1-(iodomethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is JBGKCFUHFLCMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,5-6H2.
What are the key properties of 1-(iodomethyl)-1,3-dihydro-2-benzofuran?
1-(iodomethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 260.07 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 138756847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).