2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone

C12H14O3 — CID 102652820

IUPAC2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)C2=CCCO2)c1C
InChIInChI=1S/C12H14O3/c1-7-8(2)15-9(3)11(7)12(13)10-5-4-6-14-10/h5H,4,6H2,1-3H3
InChIKeyCXBYZGOELOLSJQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.69
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone

2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 102652820) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID102652820
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)C2=CCCO2)c1C
InChIInChI=1S/C12H14O3/c1-7-8(2)15-9(3)11(7)12(13)10-5-4-6-14-10/h5H,4,6H2,1-3H3
InChIKeyCXBYZGOELOLSJQ-UHFFFAOYSA-N
XLogP2.69
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone (CID 102652820) is 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)C2=CCCO2)c1C.
What is the InChIKey of 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is CXBYZGOELOLSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-8(2)15-9(3)11(7)12(13)10-5-4-6-14-10/h5H,4,6H2,1-3H3.
What are the key properties of 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone?
2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 206.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 102652820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).