3-iodo-5-methyl-2-phenylfuran

C11H9IO — CID 10945971

IUPAC3-iodo-5-methyl-2-phenylfuran
SMILESCc1cc(I)c(-c2ccccc2)o1
InChIInChI=1S/C11H9IO/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyZUTGXFLFVJRPOH-UHFFFAOYSA-N
MW284.10 g/mol
LogP3.86
Rot. Bonds1

About 3-iodo-5-methyl-2-phenylfuran

3-iodo-5-methyl-2-phenylfuran (PubChem CID 10945971) has the molecular formula C11H9IO and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-iodo-5-methyl-2-phenylfuran.

Molecular Properties

Compound Name3-iodo-5-methyl-2-phenylfuran
PubChem CID10945971
Molecular FormulaC11H9IO
Molecular Weight284.10 g/mol
Exact Mass283.97
IUPAC Name3-iodo-5-methyl-2-phenylfuran
SMILESCc1cc(I)c(-c2ccccc2)o1
InChIInChI=1S/C11H9IO/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyZUTGXFLFVJRPOH-UHFFFAOYSA-N
XLogP3.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 53.86
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

3-bromo-5-iodo-6-phenylpyran-2-one
CID 10937690
methyl 5-iodo-2-oxo-6-phenylpyran-3-carboxylate
CID 154717333
2,5-dimethyl-3-phenylfuran
CID 598957
1,3,5,6-tetraphenyl-2-benzofuran
CID 22457278
7-iodo-2,3-diphenyl-1-benzofuran
CID 633887
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
1-iodo-2-methyl-3,5-diphenylbenzene
CID 167224590
N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide
CID 95200847
5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793
2-bromo-4-methyl-5-phenyl-1,3-oxazole
CID 105499980

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methyl-2-phenylfuran?
The IUPAC name of 3-iodo-5-methyl-2-phenylfuran (CID 10945971) is 3-iodo-5-methyl-2-phenylfuran.
What is the SMILES notation for 3-iodo-5-methyl-2-phenylfuran?
The canonical SMILES for 3-iodo-5-methyl-2-phenylfuran is Cc1cc(I)c(-c2ccccc2)o1.
What is the InChIKey of 3-iodo-5-methyl-2-phenylfuran?
The InChIKey is ZUTGXFLFVJRPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-iodo-5-methyl-2-phenylfuran?
3-iodo-5-methyl-2-phenylfuran has a molecular weight of 284.10 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methyl-2-phenylfuran is sourced from PubChem (CID 10945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).