1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one

C16H18O3 — CID 65427828

IUPAC1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2ccc3c(c2o1)OC(C)(C)C3
InChIInChI=1S/C16H18O3/c1-9(2)13(17)12-7-10-5-6-11-8-16(3,4)19-15(11)14(10)18-12/h5-7,9H,8H2,1-4H3
InChIKeyKOIBMAAIVTUSII-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.98
Rot. Bonds2

About 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one

1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one (PubChem CID 65427828) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one
PubChem CID65427828
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2ccc3c(c2o1)OC(C)(C)C3
InChIInChI=1S/C16H18O3/c1-9(2)13(17)12-7-10-5-6-11-8-16(3,4)19-15(11)14(10)18-12/h5-7,9H,8H2,1-4H3
InChIKeyKOIBMAAIVTUSII-UHFFFAOYSA-N
XLogP3.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one (CID 65427828) is 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc2ccc3c(c2o1)OC(C)(C)C3.
What is the InChIKey of 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one?
The InChIKey is KOIBMAAIVTUSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-9(2)13(17)12-7-10-5-6-11-8-16(3,4)19-15(11)14(10)18-12/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one?
1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 65427828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).