4-methyl-5-phenylfuran-2,3-dione

C11H8O3 — CID 11788719

IUPAC4-methyl-5-phenylfuran-2,3-dione
SMILESCC1=C(c2ccccc2)OC(=O)C1=O
InChIInChI=1S/C11H8O3/c1-7-9(12)11(13)14-10(7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyJFNZFTFCZHCMAK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.54
Rot. Bonds1

About 4-methyl-5-phenylfuran-2,3-dione

4-methyl-5-phenylfuran-2,3-dione (PubChem CID 11788719) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-methyl-5-phenylfuran-2,3-dione.

Molecular Properties

Compound Name4-methyl-5-phenylfuran-2,3-dione
PubChem CID11788719
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name4-methyl-5-phenylfuran-2,3-dione
SMILESCC1=C(c2ccccc2)OC(=O)C1=O
InChIInChI=1S/C11H8O3/c1-7-9(12)11(13)14-10(7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyJFNZFTFCZHCMAK-UHFFFAOYSA-N
XLogP1.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenylfuran-2,3-dione?
The IUPAC name of 4-methyl-5-phenylfuran-2,3-dione (CID 11788719) is 4-methyl-5-phenylfuran-2,3-dione.
What is the SMILES notation for 4-methyl-5-phenylfuran-2,3-dione?
The canonical SMILES for 4-methyl-5-phenylfuran-2,3-dione is CC1=C(c2ccccc2)OC(=O)C1=O.
What is the InChIKey of 4-methyl-5-phenylfuran-2,3-dione?
The InChIKey is JFNZFTFCZHCMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c1-7-9(12)11(13)14-10(7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 4-methyl-5-phenylfuran-2,3-dione?
4-methyl-5-phenylfuran-2,3-dione has a molecular weight of 188.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenylfuran-2,3-dione is sourced from PubChem (CID 11788719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).