pyrano[2,3-f]chromene-2,5-dione

C12H6O4 — CID 87595023

IUPACpyrano[2,3-f]chromene-2,5-dione
SMILESO=c1ccc2c(=O)cc3occcc-3c2o1
InChIInChI=1S/C12H6O4/c13-9-6-10-8(2-1-5-15-10)12-7(9)3-4-11(14)16-12/h1-6H
InChIKeyXEPDKURZMUAWHZ-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.85
Rot. Bonds

About pyrano[2,3-f]chromene-2,5-dione

pyrano[2,3-f]chromene-2,5-dione (PubChem CID 87595023) has the molecular formula C12H6O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is pyrano[2,3-f]chromene-2,5-dione.

Molecular Properties

Compound Namepyrano[2,3-f]chromene-2,5-dione
PubChem CID87595023
Molecular FormulaC12H6O4
Molecular Weight214.18 g/mol
Exact Mass214.03
IUPAC Namepyrano[2,3-f]chromene-2,5-dione
SMILESO=c1ccc2c(=O)cc3occcc-3c2o1
InChIInChI=1S/C12H6O4/c13-9-6-10-8(2-1-5-15-10)12-7(9)3-4-11(14)16-12/h1-6H
InChIKeyXEPDKURZMUAWHZ-UHFFFAOYSA-N
XLogP1.85
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 pyrano[2,3-f]chromene-2,5-dione?
The IUPAC name of pyrano[2,3-f]chromene-2,5-dione (CID 87595023) is pyrano[2,3-f]chromene-2,5-dione.
What is the SMILES notation for pyrano[2,3-f]chromene-2,5-dione?
The canonical SMILES for pyrano[2,3-f]chromene-2,5-dione is O=c1ccc2c(=O)cc3occcc-3c2o1.
What is the InChIKey of pyrano[2,3-f]chromene-2,5-dione?
The InChIKey is XEPDKURZMUAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6O4/c13-9-6-10-8(2-1-5-15-10)12-7(9)3-4-11(14)16-12/h1-6H.
What are the key properties of pyrano[2,3-f]chromene-2,5-dione?
pyrano[2,3-f]chromene-2,5-dione has a molecular weight of 214.18 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[2,3-f]chromene-2,5-dione is sourced from PubChem (CID 87595023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).