5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one

C11H7ClI2O2 — CID 139257536

IUPAC5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one
SMILESCC1(c2ccc(Cl)cc2)OC(=O)C(I)=C1I
InChIInChI=1S/C11H7ClI2O2/c1-11(6-2-4-7(12)5-3-6)9(14)8(13)10(15)16-11/h2-5H,1H3
InChIKeyKKRPVZQEYNYMDT-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.19
Rot. Bonds1

About 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one

5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one (PubChem CID 139257536) has the molecular formula C11H7ClI2O2 and a molecular weight of 460.44 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one
PubChem CID139257536
Molecular FormulaC11H7ClI2O2
Molecular Weight460.44 g/mol
Exact Mass459.82
IUPAC Name5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one
SMILESCC1(c2ccc(Cl)cc2)OC(=O)C(I)=C1I
InChIInChI=1S/C11H7ClI2O2/c1-11(6-2-4-7(12)5-3-6)9(14)8(13)10(15)16-11/h2-5H,1H3
InChIKeyKKRPVZQEYNYMDT-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-5-(4-methoxyphenyl)-5-methylfuran-2-one
CID 139257513
3,4-diiodo-5,5-diphenylfuran-2-one
CID 139257538
2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
CID 14787865
[5-(4-chlorophenyl)-5-methyl-4-oxofuran-2-yl] hydrogen carbonate
CID 70558652
2-(4-chlorophenyl)-2-methylcyclobutane-1,3-dione
CID 68579255
3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 54721464
[5-(4-chlorophenyl)-2-(2,5-dihydroxypyrrol-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 123420434
(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
CID 125486270
6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione
CID 2916078
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
CID 10088465
3-(4-chlorophenyl)-2-[(4-iodophenyl)methyl]-3-methylisoindol-1-one
CID 134463058
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one?
The IUPAC name of 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one (CID 139257536) is 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one is CC1(c2ccc(Cl)cc2)OC(=O)C(I)=C1I.
What is the InChIKey of 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one?
The InChIKey is KKRPVZQEYNYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClI2O2/c1-11(6-2-4-7(12)5-3-6)9(14)8(13)10(15)16-11/h2-5H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one?
5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one has a molecular weight of 460.44 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one is sourced from PubChem (CID 139257536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).