5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione

C13H8O5 — CID 42631475

IUPAC5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
SMILESCc1cc(=O)c2c(O)c3ccc(=O)oc3cc2o1
InChIInChI=1S/C13H8O5/c1-6-4-8(14)12-10(17-6)5-9-7(13(12)16)2-3-11(15)18-9/h2-5,16H,1H3
InChIKeyDZFMQKSVLSHMDQ-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.91
Rot. Bonds

About 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione

5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione (PubChem CID 42631475) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione.

Molecular Properties

Compound Name5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
PubChem CID42631475
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
SMILESCc1cc(=O)c2c(O)c3ccc(=O)oc3cc2o1
InChIInChI=1S/C13H8O5/c1-6-4-8(14)12-10(17-6)5-9-7(13(12)16)2-3-11(15)18-9/h2-5,16H,1H3
InChIKeyDZFMQKSVLSHMDQ-UHFFFAOYSA-N
XLogP1.91
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
8-methyl-5-(4-phenoxybutoxy)pyrano[3,2-g]chromene-2,6-dione
CID 42631476
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one
CID 130193601
2,7-dimethylchromen-4-one
CID 2343140
4-hydroxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 121001228
5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
CID 53321196
2-methyl-7-sulfanylchromen-4-one
CID 15171696
2-methyl-4-oxochromene-7-carboxylic acid
CID 166609828
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one
CID 136882002

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione?
The IUPAC name of 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione (CID 42631475) is 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione.
What is the SMILES notation for 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione?
The canonical SMILES for 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione is Cc1cc(=O)c2c(O)c3ccc(=O)oc3cc2o1.
What is the InChIKey of 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione?
The InChIKey is DZFMQKSVLSHMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c1-6-4-8(14)12-10(17-6)5-9-7(13(12)16)2-3-11(15)18-9/h2-5,16H,1H3.
What are the key properties of 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione?
5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione has a molecular weight of 244.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione is sourced from PubChem (CID 42631475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).