1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione

C12H12O4 — CID 123161826

IUPAC1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ccco1)C1=CCCO1
InChIInChI=1S/C12H12O4/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1,3-4,7H,2,5-6,8H2
InChIKeyBLPUEOWBEJZCLR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione

1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione (PubChem CID 123161826) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione
PubChem CID123161826
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione
SMILESO=C(CCC(=O)c1ccco1)C1=CCCO1
InChIInChI=1S/C12H12O4/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1,3-4,7H,2,5-6,8H2
InChIKeyBLPUEOWBEJZCLR-UHFFFAOYSA-N
XLogP2.12
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
4-amino-1-(2,3-dihydrofuran-5-yl)butan-1-one
CID 102652411
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
1-(furan-2-yl)-6-hydroxyhexan-1-one
CID 58637371
N-benzyl-4-(furan-2-yl)-N-methyl-4-oxobutanamide
CID 110389834
2-(4-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethanone
CID 102650858
1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 170859218
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
1-(furan-2-yl)undecan-1-one
CID 15721327
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione (CID 123161826) is 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione is O=C(CCC(=O)c1ccco1)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione?
The InChIKey is BLPUEOWBEJZCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-9(11-3-1-7-15-11)5-6-10(14)12-4-2-8-16-12/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione?
1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione has a molecular weight of 220.22 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-4-(furan-2-yl)butane-1,4-dione is sourced from PubChem (CID 123161826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).