3-iodo-2,3-dihydro-1-benzofuran

C8H7IO — CID 154708354

IUPAC3-iodo-2,3-dihydro-1-benzofuran
SMILESIC1COc2ccccc21
InChIInChI=1S/C8H7IO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5H2
InChIKeyRGJMXZVIDPIGRN-UHFFFAOYSA-N
MW246.05 g/mol
LogP2.56
Rot. Bonds

About 3-iodo-2,3-dihydro-1-benzofuran

3-iodo-2,3-dihydro-1-benzofuran (PubChem CID 154708354) has the molecular formula C8H7IO and a molecular weight of 246.05 g/mol. Its IUPAC name is 3-iodo-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-iodo-2,3-dihydro-1-benzofuran
PubChem CID154708354
Molecular FormulaC8H7IO
Molecular Weight246.05 g/mol
Exact Mass245.95
IUPAC Name3-iodo-2,3-dihydro-1-benzofuran
SMILESIC1COc2ccccc21
InChIInChI=1S/C8H7IO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5H2
InChIKeyRGJMXZVIDPIGRN-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.56
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'}

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Related Compounds

(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
2,3-dihydro-1-benzofuran-3-ol
CID 585896
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
2,3-dihydro-1-benzofuran-3-ylboronic acid
CID 66877807
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-iodo-2,3-dihydro-1-benzofuran (CID 154708354) is 3-iodo-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-iodo-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-iodo-2,3-dihydro-1-benzofuran is IC1COc2ccccc21.
What is the InChIKey of 3-iodo-2,3-dihydro-1-benzofuran?
The InChIKey is RGJMXZVIDPIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5H2.
What are the key properties of 3-iodo-2,3-dihydro-1-benzofuran?
3-iodo-2,3-dihydro-1-benzofuran has a molecular weight of 246.05 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 154708354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).