2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate

C14H8O6-2 — CID 4104299

IUPAC2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate
SMILESCc1oc2cc3c(C(=O)[O-])c(C)oc3cc2c1C(=O)[O-]
InChIInChI=1S/C14H10O6/c1-5-11(13(15)16)7-3-10-8(4-9(7)19-5)12(14(17)18)6(2)20-10/h3-4H,1-2H3,(H,15,16)(H,17,18)/p-2
InChIKeyCJDTVCZYNIQORD-UHFFFAOYSA-L
MW272.21 g/mol
LogP0.52
Rot. Bonds2

About 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate

2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate (PubChem CID 4104299) has the molecular formula C14H8O6-2 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate.

Molecular Properties

Compound Name2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate
PubChem CID4104299
Molecular FormulaC14H8O6-2
Molecular Weight272.21 g/mol
Exact Mass272.03
IUPAC Name2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate
SMILESCc1oc2cc3c(C(=O)[O-])c(C)oc3cc2c1C(=O)[O-]
InChIInChI=1S/C14H10O6/c1-5-11(13(15)16)7-3-10-8(4-9(7)19-5)12(14(17)18)6(2)20-10/h3-4H,1-2H3,(H,15,16)(H,17,18)/p-2
InChIKeyCJDTVCZYNIQORD-UHFFFAOYSA-L
XLogP0.52
TPSA106.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate?
The IUPAC name of 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate (CID 4104299) is 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate.
What is the SMILES notation for 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate?
The canonical SMILES for 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate is Cc1oc2cc3c(C(=O)[O-])c(C)oc3cc2c1C(=O)[O-].
What is the InChIKey of 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate?
The InChIKey is CJDTVCZYNIQORD-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H10O6/c1-5-11(13(15)16)7-3-10-8(4-9(7)19-5)12(14(17)18)6(2)20-10/h3-4H,1-2H3,(H,15,16)(H,17,18)/p-2.
What are the key properties of 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate?
2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate has a molecular weight of 272.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylfuro[2,3-f][1]benzofuran-3,7-dicarboxylate is sourced from PubChem (CID 4104299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).