4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione

C9H6O5 — CID 54676319

IUPAC4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione
SMILESCc1cc2oc(=O)cc(O)c2c(=O)o1
InChIInChI=1S/C9H6O5/c1-4-2-6-8(9(12)13-4)5(10)3-7(11)14-6/h2-3,10H,1H3
InChIKeyJVDRIKFYHYUOEY-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.76
Rot. Bonds

About 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione

4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione (PubChem CID 54676319) has the molecular formula C9H6O5 and a molecular weight of 194.14 g/mol. Its IUPAC name is 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione.

Molecular Properties

Compound Name4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione
PubChem CID54676319
Molecular FormulaC9H6O5
Molecular Weight194.14 g/mol
Exact Mass194.02
IUPAC Name4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione
SMILESCc1cc2oc(=O)cc(O)c2c(=O)o1
InChIInChI=1S/C9H6O5/c1-4-2-6-8(9(12)13-4)5(10)3-7(11)14-6/h2-3,10H,1H3
InChIKeyJVDRIKFYHYUOEY-UHFFFAOYSA-N
XLogP0.76
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione?
The IUPAC name of 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione (CID 54676319) is 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione.
What is the SMILES notation for 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione?
The canonical SMILES for 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione is Cc1cc2oc(=O)cc(O)c2c(=O)o1.
What is the InChIKey of 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione?
The InChIKey is JVDRIKFYHYUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O5/c1-4-2-6-8(9(12)13-4)5(10)3-7(11)14-6/h2-3,10H,1H3.
What are the key properties of 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione?
4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione has a molecular weight of 194.14 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methylpyrano[3,2-c]pyran-2,5-dione is sourced from PubChem (CID 54676319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).