4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione

C13H10O4 — CID 13165000

IUPAC4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione
SMILESCc1cc(=O)oc2cc3c(cc12)CCC(=O)O3
InChIInChI=1S/C13H10O4/c1-7-4-13(15)17-11-6-10-8(5-9(7)11)2-3-12(14)16-10/h4-6H,2-3H2,1H3
InChIKeyZDEIKWVNFCITJK-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.95
Rot. Bonds

About 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione

4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione (PubChem CID 13165000) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione.

Molecular Properties

Compound Name4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione
PubChem CID13165000
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione
SMILESCc1cc(=O)oc2cc3c(cc12)CCC(=O)O3
InChIInChI=1S/C13H10O4/c1-7-4-13(15)17-11-6-10-8(5-9(7)11)2-3-12(14)16-10/h4-6H,2-3H2,1H3
InChIKeyZDEIKWVNFCITJK-UHFFFAOYSA-N
XLogP1.95
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione?
The IUPAC name of 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione (CID 13165000) is 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione.
What is the SMILES notation for 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione?
The canonical SMILES for 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione is Cc1cc(=O)oc2cc3c(cc12)CCC(=O)O3.
What is the InChIKey of 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione?
The InChIKey is ZDEIKWVNFCITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c1-7-4-13(15)17-11-6-10-8(5-9(7)11)2-3-12(14)16-10/h4-6H,2-3H2,1H3.
What are the key properties of 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione?
4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione has a molecular weight of 230.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7-dihydropyrano[3,2-g]chromene-2,8-dione is sourced from PubChem (CID 13165000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).