3-hydroxy-2,4-diphenyl-2H-furan-5-one

C16H12O3 — CID 54694613

IUPAC3-hydroxy-2,4-diphenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C16H12O3/c17-14-13(11-7-3-1-4-8-11)16(18)19-15(14)12-9-5-2-6-10-12/h1-10,15,17H
InChIKeyQOZLFBARPXJJFW-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.25
Rot. Bonds2

About 3-hydroxy-2,4-diphenyl-2H-furan-5-one

3-hydroxy-2,4-diphenyl-2H-furan-5-one (PubChem CID 54694613) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-hydroxy-2,4-diphenyl-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-2,4-diphenyl-2H-furan-5-one
PubChem CID54694613
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-hydroxy-2,4-diphenyl-2H-furan-5-one
SMILESO=C1OC(c2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C16H12O3/c17-14-13(11-7-3-1-4-8-11)16(18)19-15(14)12-9-5-2-6-10-12/h1-10,15,17H
InChIKeyQOZLFBARPXJJFW-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-diphenyl-2H-furan-5-one?
The IUPAC name of 3-hydroxy-2,4-diphenyl-2H-furan-5-one (CID 54694613) is 3-hydroxy-2,4-diphenyl-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-2,4-diphenyl-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-2,4-diphenyl-2H-furan-5-one is O=C1OC(c2ccccc2)C(O)=C1c1ccccc1.
What is the InChIKey of 3-hydroxy-2,4-diphenyl-2H-furan-5-one?
The InChIKey is QOZLFBARPXJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-14-13(11-7-3-1-4-8-11)16(18)19-15(14)12-9-5-2-6-10-12/h1-10,15,17H.
What are the key properties of 3-hydroxy-2,4-diphenyl-2H-furan-5-one?
3-hydroxy-2,4-diphenyl-2H-furan-5-one has a molecular weight of 252.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-diphenyl-2H-furan-5-one is sourced from PubChem (CID 54694613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).