3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione

C15H10O6 — CID 155521439

IUPAC3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione
SMILESCC(=O)c1c(O)c2c(=O)oc3ccc(C)cc3c2oc1=O
InChIInChI=1S/C15H10O6/c1-6-3-4-9-8(5-6)13-11(15(19)20-9)12(17)10(7(2)16)14(18)21-13/h3-5,17H,1-2H3
InChIKeyKSZNQINLEOJSJL-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.12
Rot. Bonds1

About 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione

3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione (PubChem CID 155521439) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione
PubChem CID155521439
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione
SMILESCC(=O)c1c(O)c2c(=O)oc3ccc(C)cc3c2oc1=O
InChIInChI=1S/C15H10O6/c1-6-3-4-9-8(5-6)13-11(15(19)20-9)12(17)10(7(2)16)14(18)21-13/h3-5,17H,1-2H3
InChIKeyKSZNQINLEOJSJL-UHFFFAOYSA-N
XLogP2.12
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione (CID 155521439) is 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione is CC(=O)c1c(O)c2c(=O)oc3ccc(C)cc3c2oc1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione?
The InChIKey is KSZNQINLEOJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c1-6-3-4-9-8(5-6)13-11(15(19)20-9)12(17)10(7(2)16)14(18)21-13/h3-5,17H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione?
3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione has a molecular weight of 286.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 155521439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).