2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione

C14H8O4 — CID 139789945

IUPAC2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=C(c2ccco2)C(=O)C=C1c1ccco1
InChIInChI=1S/C14H8O4/c15-11-8-10(14-4-2-6-18-14)12(16)7-9(11)13-3-1-5-17-13/h1-8H
InChIKeyXDRWPPWINLIDGV-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.49
Rot. Bonds2

About 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione

2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 139789945) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione
PubChem CID139789945
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=C(c2ccco2)C(=O)C=C1c1ccco1
InChIInChI=1S/C14H8O4/c15-11-8-10(14-4-2-6-18-14)12(16)7-9(11)13-3-1-5-17-13/h1-8H
InChIKeyXDRWPPWINLIDGV-UHFFFAOYSA-N
XLogP2.49
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(furan-2-yl)furan
CID 161366084
furo[3,2-b]pyran-2-one
CID 66988439
2-(furan-2-yl)-6-hydroxyinden-1-one
CID 175856940
3-hydroxypyran-2-one;iron
CID 67120749
6-(furan-2-yl)-2,2-dimethyl-1,3-dioxin-4-one
CID 53466014
2-(2,3,4,5,6-pentafluorophenyl)furan
CID 14644888
ethane;2-phenylfuran
CID 143157762
3-(furan-2-yl)-2-methylinden-1-one
CID 23727587
4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde
CID 96633688
2-(furan-2-yl)-6-phenylpyran-4-one
CID 10657547
5-(furan-2-yl)-4-methyl-1,2-oxazol-3-one
CID 10773345
2-ethoxy-6-(furan-2-yl)-2,3-dihydropyran-4-one
CID 15262292

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione (CID 139789945) is 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione is O=C1C=C(c2ccco2)C(=O)C=C1c1ccco1.
What is the InChIKey of 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is XDRWPPWINLIDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-11-8-10(14-4-2-6-18-14)12(16)7-9(11)13-3-1-5-17-13/h1-8H.
What are the key properties of 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione?
2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 240.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(furan-2-yl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 139789945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).