3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one

C17H14O4 — CID 11507450

IUPAC3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one
SMILESO=C1OC(O)C(Cc2ccccc2)=C1c1ccc(O)cc1
InChIInChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)15-14(16(19)21-17(15)20)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
InChIKeyGKALINVEANUEGZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.26
Rot. Bonds3

About 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one

3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one (PubChem CID 11507450) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one
PubChem CID11507450
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one
SMILESO=C1OC(O)C(Cc2ccccc2)=C1c1ccc(O)cc1
InChIInChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)15-14(16(19)21-17(15)20)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
InChIKeyGKALINVEANUEGZ-UHFFFAOYSA-N
XLogP2.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one (CID 11507450) is 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one is O=C1OC(O)C(Cc2ccccc2)=C1c1ccc(O)cc1.
What is the InChIKey of 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one?
The InChIKey is GKALINVEANUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)15-14(16(19)21-17(15)20)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2.
What are the key properties of 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one?
3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one has a molecular weight of 282.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-hydroxy-4-(4-hydroxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 11507450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).