8H-pyrano[2,3-g]chromene-3,7-dione

C12H8O4 — CID 23618291

IUPAC8H-pyrano[2,3-g]chromene-3,7-dione
SMILESO=C1C=c2cc3c(cc2OC1)=CCC(=O)O3
InChIInChI=1S/C12H8O4/c13-9-3-8-5-11-7(1-2-12(14)16-11)4-10(8)15-6-9/h1,3-5H,2,6H2
InChIKeyHKSCIRJARDVPPR-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.48
Rot. Bonds

About 8H-pyrano[2,3-g]chromene-3,7-dione

8H-pyrano[2,3-g]chromene-3,7-dione (PubChem CID 23618291) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is 8H-pyrano[2,3-g]chromene-3,7-dione.

Molecular Properties

Compound Name8H-pyrano[2,3-g]chromene-3,7-dione
PubChem CID23618291
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Name8H-pyrano[2,3-g]chromene-3,7-dione
SMILESO=C1C=c2cc3c(cc2OC1)=CCC(=O)O3
InChIInChI=1S/C12H8O4/c13-9-3-8-5-11-7(1-2-12(14)16-11)4-10(8)15-6-9/h1,3-5H,2,6H2
InChIKeyHKSCIRJARDVPPR-UHFFFAOYSA-N
XLogP-0.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-prop-1-enyl-3H-furan-2-one
CID 85106623
3H-chromene-2,7-dione
CID 66990839
5-(trifluoromethyl)-3H-furan-2-one
CID 67880347
7-ethyl-5-hydroxy-1-benzoxepin-3-one
CID 143309880
5-[(3-fluorophenyl)methylamino]furan-3-one
CID 175280624
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
CID 612770
7-ethylidene-6-propylidene-1,4-benzodioxin-2-one
CID 123635829
7-methyl-3H-1-benzoxepin-2-one
CID 101054768
8-hydroxy-7-iodo-1-benzoxepin-3-one
CID 11289622
5-(2-methoxyphenyl)furan-3-one
CID 12924090
8,9-dihydro-7H-cyclopenta[h][1,5]benzodioxepin-3-one
CID 16757333
6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one
CID 23405122

Frequently Asked Questions

What is the IUPAC name of 8H-pyrano[2,3-g]chromene-3,7-dione?
The IUPAC name of 8H-pyrano[2,3-g]chromene-3,7-dione (CID 23618291) is 8H-pyrano[2,3-g]chromene-3,7-dione.
What is the SMILES notation for 8H-pyrano[2,3-g]chromene-3,7-dione?
The canonical SMILES for 8H-pyrano[2,3-g]chromene-3,7-dione is O=C1C=c2cc3c(cc2OC1)=CCC(=O)O3.
What is the InChIKey of 8H-pyrano[2,3-g]chromene-3,7-dione?
The InChIKey is HKSCIRJARDVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4/c13-9-3-8-5-11-7(1-2-12(14)16-11)4-10(8)15-6-9/h1,3-5H,2,6H2.
What are the key properties of 8H-pyrano[2,3-g]chromene-3,7-dione?
8H-pyrano[2,3-g]chromene-3,7-dione has a molecular weight of 216.19 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrano[2,3-g]chromene-3,7-dione is sourced from PubChem (CID 23618291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).