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

C11H10O3 — CID 54678489

IUPAC4-benzyl-3-hydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1Cc1ccccc1
InChIInChI=1S/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyBXEIAIJHNZRHPQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.60
Rot. Bonds2

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

4-benzyl-3-hydroxy-2H-furan-5-one (PubChem CID 54678489) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-benzyl-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name4-benzyl-3-hydroxy-2H-furan-5-one
PubChem CID54678489
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name4-benzyl-3-hydroxy-2H-furan-5-one
SMILESO=C1OCC(O)=C1Cc1ccccc1
InChIInChI=1S/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKeyBXEIAIJHNZRHPQ-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-hydroxy-2H-furan-5-one?
The IUPAC name of 4-benzyl-3-hydroxy-2H-furan-5-one (CID 54678489) is 4-benzyl-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for 4-benzyl-3-hydroxy-2H-furan-5-one?
The canonical SMILES for 4-benzyl-3-hydroxy-2H-furan-5-one is O=C1OCC(O)=C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-hydroxy-2H-furan-5-one?
The InChIKey is BXEIAIJHNZRHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2.
What are the key properties of 4-benzyl-3-hydroxy-2H-furan-5-one?
4-benzyl-3-hydroxy-2H-furan-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54678489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).