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

C12H10O4 — CID 612770

IUPAC3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
SMILESO=C1CCc2cc3c(cc2O1)OC(=O)CC3
InChIInChI=1S/C12H10O4/c13-11-3-1-7-5-8-2-4-12(14)16-10(8)6-9(7)15-11/h5-6H,1-4H2
InChIKeyIKOZXYXIXSYITL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.39
Rot. Bonds

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

3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione (PubChem CID 612770) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione.

Molecular Properties

Compound Name3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
PubChem CID612770
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
SMILESO=C1CCc2cc3c(cc2O1)OC(=O)CC3
InChIInChI=1S/C12H10O4/c13-11-3-1-7-5-8-2-4-12(14)16-10(8)6-9(7)15-11/h5-6H,1-4H2
InChIKeyIKOZXYXIXSYITL-UHFFFAOYSA-N
XLogP1.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione?
The IUPAC name of 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione (CID 612770) is 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione.
What is the SMILES notation for 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione?
The canonical SMILES for 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione is O=C1CCc2cc3c(cc2O1)OC(=O)CC3.
What is the InChIKey of 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione?
The InChIKey is IKOZXYXIXSYITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-11-3-1-7-5-8-2-4-12(14)16-10(8)6-9(7)15-11/h5-6H,1-4H2.
What are the key properties of 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione?
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione has a molecular weight of 218.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione is sourced from PubChem (CID 612770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).