3-methylfuran-2-carbonyl iodide

C6H5IO2 — CID 143843611

IUPAC3-methylfuran-2-carbonyl iodide
SMILESCc1ccoc1C(=O)I
InChIInChI=1S/C6H5IO2/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
InChIKeyALIKYHQOMYOSCY-UHFFFAOYSA-N
MW236.01 g/mol
LogP2.16
Rot. Bonds1

About 3-methylfuran-2-carbonyl iodide

3-methylfuran-2-carbonyl iodide (PubChem CID 143843611) has the molecular formula C6H5IO2 and a molecular weight of 236.01 g/mol. Its IUPAC name is 3-methylfuran-2-carbonyl iodide.

Molecular Properties

Compound Name3-methylfuran-2-carbonyl iodide
PubChem CID143843611
Molecular FormulaC6H5IO2
Molecular Weight236.01 g/mol
Exact Mass235.93
IUPAC Name3-methylfuran-2-carbonyl iodide
SMILESCc1ccoc1C(=O)I
InChIInChI=1S/C6H5IO2/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
InChIKeyALIKYHQOMYOSCY-UHFFFAOYSA-N
XLogP2.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462607
(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
furan-3-yl-(3-methylfuran-2-yl)methanone
CID 104799450
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-(3-hydroxy-2-methylphenyl)-3-methylfuran-2-carboxamide
CID 64793072
3-methyl-1-(3-methylfuran-2-yl)pentan-1-one
CID 104799488
1-(3-methylfuran-2-yl)decan-1-one
CID 104799396
2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799512
N',3-dimethylfuran-2-carboximidamide
CID 104807504

Frequently Asked Questions

What is the IUPAC name of 3-methylfuran-2-carbonyl iodide?
The IUPAC name of 3-methylfuran-2-carbonyl iodide (CID 143843611) is 3-methylfuran-2-carbonyl iodide.
What is the SMILES notation for 3-methylfuran-2-carbonyl iodide?
The canonical SMILES for 3-methylfuran-2-carbonyl iodide is Cc1ccoc1C(=O)I.
What is the InChIKey of 3-methylfuran-2-carbonyl iodide?
The InChIKey is ALIKYHQOMYOSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5IO2/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3.
What are the key properties of 3-methylfuran-2-carbonyl iodide?
3-methylfuran-2-carbonyl iodide has a molecular weight of 236.01 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran-2-carbonyl iodide is sourced from PubChem (CID 143843611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).