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

C8H7IO — CID 134256715

IUPAC4-iodo-1,3-dihydro-2-benzofuran
SMILESIc1cccc2c1COC2
InChIInChI=1S/C8H7IO/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3H,4-5H2
InChIKeyPOIRLMICSRYSMX-UHFFFAOYSA-N
MW246.05 g/mol
LogP2.32
Rot. Bonds

About 4-iodo-1,3-dihydro-2-benzofuran

4-iodo-1,3-dihydro-2-benzofuran (PubChem CID 134256715) has the molecular formula C8H7IO and a molecular weight of 246.05 g/mol. Its IUPAC name is 4-iodo-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name4-iodo-1,3-dihydro-2-benzofuran
PubChem CID134256715
Molecular FormulaC8H7IO
Molecular Weight246.05 g/mol
Exact Mass245.95
IUPAC Name4-iodo-1,3-dihydro-2-benzofuran
SMILESIc1cccc2c1COC2
InChIInChI=1S/C8H7IO/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3H,4-5H2
InChIKeyPOIRLMICSRYSMX-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dihydro-2-benzofuran-4-yl)ethanol
CID 83674155
4-(2-methylpropyl)-1,3-dihydro-2-benzofuran
CID 122663965
(2S)-8-iodo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 131030686
[(3S)-5-iodo-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130977729
5-chloro-3,4-dihydro-1H-isochromene
CID 10821012
3-(1,3-dihydro-2-benzofuran-4-yl)butanal
CID 117281892
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
4,5-dimethyl-1,3-dihydro-2-benzofuran
CID 59398603
5-(chloromethyl)-3-(1,3-dihydro-2-benzofuran-4-yl)-1,2,4-oxadiazole
CID 178101100
3,6,9,18,21,24-hexaoxatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene
CID 13012462
5-chloro-1,3-dihydro-2-benzofuran-4-ol
CID 122620490
4-methyl-1,3-dihydro-2-benzofuran-5-amine
CID 55283822

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,3-dihydro-2-benzofuran?
The IUPAC name of 4-iodo-1,3-dihydro-2-benzofuran (CID 134256715) is 4-iodo-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 4-iodo-1,3-dihydro-2-benzofuran?
The canonical SMILES for 4-iodo-1,3-dihydro-2-benzofuran is Ic1cccc2c1COC2.
What is the InChIKey of 4-iodo-1,3-dihydro-2-benzofuran?
The InChIKey is POIRLMICSRYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3H,4-5H2.
What are the key properties of 4-iodo-1,3-dihydro-2-benzofuran?
4-iodo-1,3-dihydro-2-benzofuran has a molecular weight of 246.05 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 134256715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).