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

C10H8O3 — CID 10856006

IUPAC4-hydroxy-3-phenyl-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1O
InChIInChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyXNJYMUJVHSHURL-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.51
Rot. Bonds1

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

4-hydroxy-3-phenyl-2H-furan-5-one (PubChem CID 10856006) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2H-furan-5-one
PubChem CID10856006
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name4-hydroxy-3-phenyl-2H-furan-5-one
SMILESO=C1OCC(c2ccccc2)=C1O
InChIInChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyXNJYMUJVHSHURL-UHFFFAOYSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2H-furan-5-one?
The IUPAC name of 4-hydroxy-3-phenyl-2H-furan-5-one (CID 10856006) is 4-hydroxy-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-3-phenyl-2H-furan-5-one is O=C1OCC(c2ccccc2)=C1O.
What is the InChIKey of 4-hydroxy-3-phenyl-2H-furan-5-one?
The InChIKey is XNJYMUJVHSHURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,11H,6H2.
What are the key properties of 4-hydroxy-3-phenyl-2H-furan-5-one?
4-hydroxy-3-phenyl-2H-furan-5-one has a molecular weight of 176.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 10856006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).