3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one

C13H8O5 — CID 137241667

IUPAC3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one
SMILESO=C1OCC(O)=C1C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C13H8O5/c14-8-5-18-13(17)9(8)10-11(15)6-3-1-2-4-7(6)12(10)16/h1-4,14-15H,5H2
InChIKeyOXRKCOLEUDXRRK-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.52
Rot. Bonds1

About 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one

3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one (PubChem CID 137241667) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one
PubChem CID137241667
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one
SMILESO=C1OCC(O)=C1C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C13H8O5/c14-8-5-18-13(17)9(8)10-11(15)6-3-1-2-4-7(6)12(10)16/h1-4,14-15H,5H2
InChIKeyOXRKCOLEUDXRRK-UHFFFAOYSA-N
XLogP1.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one (CID 137241667) is 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one is O=C1OCC(O)=C1C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one?
The InChIKey is OXRKCOLEUDXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c14-8-5-18-13(17)9(8)10-11(15)6-3-1-2-4-7(6)12(10)16/h1-4,14-15H,5H2.
What are the key properties of 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one?
3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one has a molecular weight of 244.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one is sourced from PubChem (CID 137241667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).