1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione

C12H10O4 — CID 15262340

IUPAC1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
SMILESCC(C(=O)c1ccco1)C(=O)c1ccco1
InChIInChI=1S/C12H10O4/c1-8(11(13)9-4-2-6-15-9)12(14)10-5-3-7-16-10/h2-8H,1H3
InChIKeyVJWFSGHMYWPTBD-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.57
Rot. Bonds4

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

1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione (PubChem CID 15262340) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione.

Molecular Properties

Compound Name1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
PubChem CID15262340
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
SMILESCC(C(=O)c1ccco1)C(=O)c1ccco1
InChIInChI=1S/C12H10O4/c1-8(11(13)9-4-2-6-15-9)12(14)10-5-3-7-16-10/h2-8H,1H3
InChIKeyVJWFSGHMYWPTBD-UHFFFAOYSA-N
XLogP2.57
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
2-bromo-1-(furan-2-yl)butan-1-one
CID 45081165
1-(furan-2-yl)-2-methyldecane-1,3-dione
CID 62633228
1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119304
(2R)-2-(18F)fluoro-1-(furan-2-yl)-2-methoxyethanone
CID 162417007
3-(furan-2-yl)-2-hydroxy-3-oxopropanal
CID 174854524
furan-2-carboxylic acid;methanol
CID 70611195
bis(furan-2-carbonyl)phosphanyl-(furan-2-yl)methanone
CID 18432898
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
methane;propan-2-yl furan-2-carboxylate
CID 157166715

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione?
The IUPAC name of 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione (CID 15262340) is 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione.
What is the SMILES notation for 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione?
The canonical SMILES for 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione is CC(C(=O)c1ccco1)C(=O)c1ccco1.
What is the InChIKey of 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione?
The InChIKey is VJWFSGHMYWPTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-8(11(13)9-4-2-6-15-9)12(14)10-5-3-7-16-10/h2-8H,1H3.
What are the key properties of 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione?
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione has a molecular weight of 218.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione is sourced from PubChem (CID 15262340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).