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

C12H12O3 — CID 130495078

IUPAC(4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(C)o2)co1
InChIInChI=1S/C12H12O3/c1-7-4-11(15-9(7)3)12(13)10-5-8(2)14-6-10/h4-6H,1-3H3
InChIKeyVMBHWRPDMZOFNP-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.03
Rot. Bonds2

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

(4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone (PubChem CID 130495078) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone
PubChem CID130495078
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2cc(C)c(C)o2)co1
InChIInChI=1S/C12H12O3/c1-7-4-11(15-9(7)3)12(13)10-5-8(2)14-6-10/h4-6H,1-3H3
InChIKeyVMBHWRPDMZOFNP-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

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone (CID 130495078) is (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2cc(C)c(C)o2)co1.
What is the InChIKey of (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone?
The InChIKey is VMBHWRPDMZOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-4-11(15-9(7)3)12(13)10-5-8(2)14-6-10/h4-6H,1-3H3.
What are the key properties of (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone?
(4,5-dimethylfuran-2-yl)-(5-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 (4,5-dimethylfuran-2-yl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 130495078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).