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

C17H14O4 — CID 54738507

IUPAC4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one
SMILESO=C1OC(c2ccc(O)cc2)C(O)=C1Cc1ccccc1
InChIInChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)16-15(19)14(17(20)21-16)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
InChIKeyAHKPCKHDSIQVNI-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.04
Rot. Bonds3

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

4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one (PubChem CID 54738507) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one
PubChem CID54738507
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one
SMILESO=C1OC(c2ccc(O)cc2)C(O)=C1Cc1ccccc1
InChIInChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)16-15(19)14(17(20)21-16)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
InChIKeyAHKPCKHDSIQVNI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one?
The IUPAC name of 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one (CID 54738507) is 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one?
The canonical SMILES for 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one is O=C1OC(c2ccc(O)cc2)C(O)=C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one?
The InChIKey is AHKPCKHDSIQVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)16-15(19)14(17(20)21-16)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2.
What are the key properties of 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one?
4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one has a molecular weight of 282.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-hydroxy-2-(4-hydroxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 54738507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).