(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one

C17H12O3 — CID 54678437

IUPAC(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one
SMILESO=C1O/C(=C/c2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C17H12O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-11,18H/b14-11+
InChIKeyQCNFPAOZIJUOJQ-SDNWHVSQSA-N
MW264.28 g/mol
LogP3.55
Rot. Bonds2

About (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one

(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one (PubChem CID 54678437) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one
PubChem CID54678437
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one
SMILESO=C1O/C(=C/c2ccccc2)C(O)=C1c1ccccc1
InChIInChI=1S/C17H12O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-11,18H/b14-11+
InChIKeyQCNFPAOZIJUOJQ-SDNWHVSQSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one?
The IUPAC name of (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one (CID 54678437) is (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one.
What is the SMILES notation for (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one?
The canonical SMILES for (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one is O=C1O/C(=C/c2ccccc2)C(O)=C1c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one?
The InChIKey is QCNFPAOZIJUOJQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H12O3/c18-16-14(11-12-7-3-1-4-8-12)20-17(19)15(16)13-9-5-2-6-10-13/h1-11,18H/b14-11+.
What are the key properties of (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one?
(5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one has a molecular weight of 264.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-4-hydroxy-3-phenylfuran-2-one is sourced from PubChem (CID 54678437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).