4-phenylfuran-2,3-dione

C10H6O3 — CID 71444007

IUPAC4-phenylfuran-2,3-dione
SMILESO=C1OC=C(c2ccccc2)C1=O
InChIInChI=1S/C10H6O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-6H
InChIKeyZCRFUIKPDBKTPJ-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.15
Rot. Bonds1

About 4-phenylfuran-2,3-dione

4-phenylfuran-2,3-dione (PubChem CID 71444007) has the molecular formula C10H6O3 and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-phenylfuran-2,3-dione.

Molecular Properties

Compound Name4-phenylfuran-2,3-dione
PubChem CID71444007
Molecular FormulaC10H6O3
Molecular Weight174.15 g/mol
Exact Mass174.03
IUPAC Name4-phenylfuran-2,3-dione
SMILESO=C1OC=C(c2ccccc2)C1=O
InChIInChI=1S/C10H6O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-6H
InChIKeyZCRFUIKPDBKTPJ-UHFFFAOYSA-N
XLogP1.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.15
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-phenylfuran-2,3-dione?
The IUPAC name of 4-phenylfuran-2,3-dione (CID 71444007) is 4-phenylfuran-2,3-dione.
What is the SMILES notation for 4-phenylfuran-2,3-dione?
The canonical SMILES for 4-phenylfuran-2,3-dione is O=C1OC=C(c2ccccc2)C1=O.
What is the InChIKey of 4-phenylfuran-2,3-dione?
The InChIKey is ZCRFUIKPDBKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-phenylfuran-2,3-dione?
4-phenylfuran-2,3-dione has a molecular weight of 174.15 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylfuran-2,3-dione is sourced from PubChem (CID 71444007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).