benzoyl iodide;furan

C11H9IO2 — CID 174563356

IUPACbenzoyl iodide;furan
SMILESO=C(I)c1ccccc1.c1ccoc1
InChIInChI=1S/C7H5IO.C4H4O/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H
InChIKeyWFDYCEVNUWNKHF-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.54
Rot. Bonds1

About benzoyl iodide;furan

benzoyl iodide;furan (PubChem CID 174563356) has the molecular formula C11H9IO2 and a molecular weight of 300.10 g/mol. Its IUPAC name is benzoyl iodide;furan.

Molecular Properties

Compound Namebenzoyl iodide;furan
PubChem CID174563356
Molecular FormulaC11H9IO2
Molecular Weight300.10 g/mol
Exact Mass299.96
IUPAC Namebenzoyl iodide;furan
SMILESO=C(I)c1ccccc1.c1ccoc1
InChIInChI=1S/C7H5IO.C4H4O/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H
InChIKeyWFDYCEVNUWNKHF-UHFFFAOYSA-N
XLogP3.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.54
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

benzenecarbothioamide;furan
CID 162109798
1,2-diphenylethenylbenzene;furan
CID 175372951
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
4-phenacylbenzoyl iodide
CID 142013538
benzoyl iodide;3-phenylpropanoic acid
CID 143765725
1,2-diphenylethane-1,2-dione;iron
CID 70488368
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of benzoyl iodide;furan?
The IUPAC name of benzoyl iodide;furan (CID 174563356) is benzoyl iodide;furan.
What is the SMILES notation for benzoyl iodide;furan?
The canonical SMILES for benzoyl iodide;furan is O=C(I)c1ccccc1.c1ccoc1.
What is the InChIKey of benzoyl iodide;furan?
The InChIKey is WFDYCEVNUWNKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO.C4H4O/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1/h1-5H;1-4H.
What are the key properties of benzoyl iodide;furan?
benzoyl iodide;furan has a molecular weight of 300.10 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl iodide;furan is sourced from PubChem (CID 174563356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).