1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione

C12H10O6 — CID 121014452

IUPAC1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
SMILESO=C(c1ccco1)C(O)C(O)C(=O)c1ccco1
InChIInChI=1S/C12H10O6/c13-9(7-3-1-5-17-7)11(15)12(16)10(14)8-4-2-6-18-8/h1-6,11-12,15-16H
InChIKeyWKABGMSYQRAOHT-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.66
Rot. Bonds5

About 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione

1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione (PubChem CID 121014452) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione.

Molecular Properties

Compound Name1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
PubChem CID121014452
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Name1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
SMILESO=C(c1ccco1)C(O)C(O)C(=O)c1ccco1
InChIInChI=1S/C12H10O6/c13-9(7-3-1-5-17-7)11(15)12(16)10(14)8-4-2-6-18-8/h1-6,11-12,15-16H
InChIKeyWKABGMSYQRAOHT-UHFFFAOYSA-N
XLogP0.66
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5R)-1-(furan-2-yl)-2,3,4,5,6-pentahydroxyhexan-1-one
CID 175779096
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340
3-(furan-2-yl)-2-hydroxy-3-oxopropanal
CID 174854524
1-(furan-2-yl)-2,3,4,5-tetrahydroxypentan-1-one;sulfuric acid
CID 174479869
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
(2R)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483360
(2S)-2-(2-chlorophenyl)-1-(furan-2-yl)-2-hydroxyethanone
CID 125483361
(2S,3S)-1-(furan-2-yl)-2-hydroxy-4-nitro-3-phenylbutan-1-one
CID 15953689
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;silver
CID 87285311

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione?
The IUPAC name of 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione (CID 121014452) is 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione.
What is the SMILES notation for 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione?
The canonical SMILES for 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione is O=C(c1ccco1)C(O)C(O)C(=O)c1ccco1.
What is the InChIKey of 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione?
The InChIKey is WKABGMSYQRAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c13-9(7-3-1-5-17-7)11(15)12(16)10(14)8-4-2-6-18-8/h1-6,11-12,15-16H.
What are the key properties of 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione?
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione has a molecular weight of 250.21 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione is sourced from PubChem (CID 121014452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).