3-(2-methylpropoxy)-3H-2-benzofuran-1-one

C12H14O3 — CID 11367744

IUPAC3-(2-methylpropoxy)-3H-2-benzofuran-1-one
SMILESCC(C)COC1OC(=O)c2ccccc21
InChIInChI=1S/C12H14O3/c1-8(2)7-14-12-10-6-4-3-5-9(10)11(13)15-12/h3-6,8,12H,7H2,1-2H3
InChIKeyFINMRGLUKHOWAU-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-methylpropoxy)-3H-2-benzofuran-1-one

3-(2-methylpropoxy)-3H-2-benzofuran-1-one (PubChem CID 11367744) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2-methylpropoxy)-3H-2-benzofuran-1-one
PubChem CID11367744
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(2-methylpropoxy)-3H-2-benzofuran-1-one
SMILESCC(C)COC1OC(=O)c2ccccc21
InChIInChI=1S/C12H14O3/c1-8(2)7-14-12-10-6-4-3-5-9(10)11(13)15-12/h3-6,8,12H,7H2,1-2H3
InChIKeyFINMRGLUKHOWAU-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2-methylpropoxy)-3H-2-benzofuran-1-one (CID 11367744) is 3-(2-methylpropoxy)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2-methylpropoxy)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2-methylpropoxy)-3H-2-benzofuran-1-one is CC(C)COC1OC(=O)c2ccccc21.
What is the InChIKey of 3-(2-methylpropoxy)-3H-2-benzofuran-1-one?
The InChIKey is FINMRGLUKHOWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(2)7-14-12-10-6-4-3-5-9(10)11(13)15-12/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-3H-2-benzofuran-1-one?
3-(2-methylpropoxy)-3H-2-benzofuran-1-one has a molecular weight of 206.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-3H-2-benzofuran-1-one is sourced from PubChem (CID 11367744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).