4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one

C17H12O4 — CID 102358956

IUPAC4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one
SMILESO=C1OC(O)C(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C17H12O4/c18-15(12-9-5-2-6-10-12)14-13(16(19)21-17(14)20)11-7-3-1-4-8-11/h1-10,16,19H
InChIKeyLHUVFAQGBBQGDF-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.20
Rot. Bonds3

About 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one

4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one (PubChem CID 102358956) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one
PubChem CID102358956
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one
SMILESO=C1OC(O)C(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C17H12O4/c18-15(12-9-5-2-6-10-12)14-13(16(19)21-17(14)20)11-7-3-1-4-8-11/h1-10,16,19H
InChIKeyLHUVFAQGBBQGDF-UHFFFAOYSA-N
XLogP2.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one?
The IUPAC name of 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one (CID 102358956) is 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one?
The canonical SMILES for 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one is O=C1OC(O)C(c2ccccc2)=C1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one?
The InChIKey is LHUVFAQGBBQGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c18-15(12-9-5-2-6-10-12)14-13(16(19)21-17(14)20)11-7-3-1-4-8-11/h1-10,16,19H.
What are the key properties of 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one?
4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one has a molecular weight of 280.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-2-hydroxy-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 102358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).