3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one

C11H9IO3 — CID 121222502

IUPAC3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one
SMILESCC1(O)C(=O)OC(c2ccccc2)=C1I
InChIInChI=1S/C11H9IO3/c1-11(14)9(12)8(15-10(11)13)7-5-3-2-4-6-7/h2-6,14H,1H3
InChIKeyAVMGBCRNBWFYCX-UHFFFAOYSA-N
MW316.09 g/mol
LogP2.10
Rot. Bonds1

About 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one

3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one (PubChem CID 121222502) has the molecular formula C11H9IO3 and a molecular weight of 316.09 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one.

Molecular Properties

Compound Name3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one
PubChem CID121222502
Molecular FormulaC11H9IO3
Molecular Weight316.09 g/mol
Exact Mass315.96
IUPAC Name3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one
SMILESCC1(O)C(=O)OC(c2ccccc2)=C1I
InChIInChI=1S/C11H9IO3/c1-11(14)9(12)8(15-10(11)13)7-5-3-2-4-6-7/h2-6,14H,1H3
InChIKeyAVMGBCRNBWFYCX-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one?
The IUPAC name of 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one (CID 121222502) is 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one.
What is the SMILES notation for 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one?
The canonical SMILES for 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one is CC1(O)C(=O)OC(c2ccccc2)=C1I.
What is the InChIKey of 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one?
The InChIKey is AVMGBCRNBWFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO3/c1-11(14)9(12)8(15-10(11)13)7-5-3-2-4-6-7/h2-6,14H,1H3.
What are the key properties of 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one?
3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one has a molecular weight of 316.09 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-3-methyl-5-phenylfuran-2-one is sourced from PubChem (CID 121222502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).