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

C11H10O3 — CID 13439272

IUPAC4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
SMILESCC1OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C11H10O3/c1-7-9(10(12)11(13)14-7)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyBULXETQGIFXOJW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds1

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

4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one (PubChem CID 13439272) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
PubChem CID13439272
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
SMILESCC1OC(=O)C(O)=C1c1ccccc1
InChIInChI=1S/C11H10O3/c1-7-9(10(12)11(13)14-7)8-5-3-2-4-6-8/h2-7,12H,1H3
InChIKeyBULXETQGIFXOJW-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one?
The IUPAC name of 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one (CID 13439272) is 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one.
What is the SMILES notation for 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one?
The canonical SMILES for 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one is CC1OC(=O)C(O)=C1c1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one?
The InChIKey is BULXETQGIFXOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-9(10(12)11(13)14-7)8-5-3-2-4-6-8/h2-7,12H,1H3.
What are the key properties of 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one?
4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one is sourced from PubChem (CID 13439272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).