(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone

C12H12O3 — CID 131181698

IUPAC(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cocc2C)c(C)o1
InChIInChI=1S/C12H12O3/c1-7-5-14-6-11(7)12(13)10-4-8(2)15-9(10)3/h4-6H,1-3H3
InChIKeyQDPKLYVIKJFOOA-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.03
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone

(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone (PubChem CID 131181698) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
PubChem CID131181698
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cocc2C)c(C)o1
InChIInChI=1S/C12H12O3/c1-7-5-14-6-11(7)12(13)10-4-8(2)15-9(10)3/h4-6H,1-3H3
InChIKeyQDPKLYVIKJFOOA-UHFFFAOYSA-N
XLogP3.03
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dichlorothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463798
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
lithium 2,5-dimethylfuran-3-carboxylate
CID 58078185
(2,5-dimethylfuran-3-yl)-(3-methyltriazol-4-yl)methanone
CID 115806862
(3-bromo-2,4,6-trimethylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 114249206
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463533
(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methanone
CID 114976095
(4-bromothiophen-2-yl)-(4-methylfuran-3-yl)methanone
CID 131043283
(4-methylfuran-3-yl)-(5-methylpyrimidin-2-yl)methanone
CID 130993373

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone (CID 131181698) is (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2cocc2C)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
The InChIKey is QDPKLYVIKJFOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-5-14-6-11(7)12(13)10-4-8(2)15-9(10)3/h4-6H,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
(2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone has a molecular weight of 204.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-methylfuran-3-yl)methanone is sourced from PubChem (CID 131181698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).