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

C17H14O3 — CID 54685119

IUPAC2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one
SMILESO=C1OC(Cc2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-10,14,18H,11H2
InChIKeyFQKDKWYOHVWMSH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds3

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

2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one (PubChem CID 54685119) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one
PubChem CID54685119
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one
SMILESO=C1OC(Cc2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-10,14,18H,11H2
InChIKeyFQKDKWYOHVWMSH-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one?
The IUPAC name of 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one (CID 54685119) is 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one.
What is the SMILES notation for 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one?
The canonical SMILES for 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one is O=C1OC(Cc2ccccc2)C(O)=C1c1ccccc1.
What is the InChIKey of 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one?
The InChIKey is FQKDKWYOHVWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-10,14,18H,11H2.
What are the key properties of 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one?
2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one has a molecular weight of 266.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 54685119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).