(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone

C11H9IO2S — CID 79685758

IUPAC(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2csc(I)c2)c(C)o1
InChIInChI=1S/C11H9IO2S/c1-6-3-9(7(2)14-6)11(13)8-4-10(12)15-5-8/h3-5H,1-2H3
InChIKeyGSWJTOVNHHVZMI-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.79
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone

(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 79685758) has the molecular formula C11H9IO2S and a molecular weight of 332.16 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID79685758
Molecular FormulaC11H9IO2S
Molecular Weight332.16 g/mol
Exact Mass331.94
IUPAC Name(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2csc(I)c2)c(C)o1
InChIInChI=1S/C11H9IO2S/c1-6-3-9(7(2)14-6)11(13)8-4-10(12)15-5-8/h3-5H,1-2H3
InChIKeyGSWJTOVNHHVZMI-UHFFFAOYSA-N
XLogP3.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
CID 79685566
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
(5-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 115784588
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 78949917
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
CID 131181698
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
(2,6-difluorophenyl)-(5-iodothiophen-3-yl)methanone
CID 114972960

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone (CID 79685758) is (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone is Cc1cc(C(=O)c2csc(I)c2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is GSWJTOVNHHVZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO2S/c1-6-3-9(7(2)14-6)11(13)8-4-10(12)15-5-8/h3-5H,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone?
(2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 332.16 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79685758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).