2-(2-methoxyethyl)-1-benzofuran-3-one

C11H12O3 — CID 155166560

IUPAC2-(2-methoxyethyl)-1-benzofuran-3-one
SMILESCOCCC1Oc2ccccc2C1=O
InChIInChI=1S/C11H12O3/c1-13-7-6-10-11(12)8-4-2-3-5-9(8)14-10/h2-5,10H,6-7H2,1H3
InChIKeyNQDOCGJOVSENBI-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-methoxyethyl)-1-benzofuran-3-one

2-(2-methoxyethyl)-1-benzofuran-3-one (PubChem CID 155166560) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-benzofuran-3-one
PubChem CID155166560
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(2-methoxyethyl)-1-benzofuran-3-one
SMILESCOCCC1Oc2ccccc2C1=O
InChIInChI=1S/C11H12O3/c1-13-7-6-10-11(12)8-4-2-3-5-9(8)14-10/h2-5,10H,6-7H2,1H3
InChIKeyNQDOCGJOVSENBI-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-benzofuran-3-one?
The IUPAC name of 2-(2-methoxyethyl)-1-benzofuran-3-one (CID 155166560) is 2-(2-methoxyethyl)-1-benzofuran-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-1-benzofuran-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-1-benzofuran-3-one is COCCC1Oc2ccccc2C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-1-benzofuran-3-one?
The InChIKey is NQDOCGJOVSENBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-7-6-10-11(12)8-4-2-3-5-9(8)14-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1-benzofuran-3-one?
2-(2-methoxyethyl)-1-benzofuran-3-one has a molecular weight of 192.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-benzofuran-3-one is sourced from PubChem (CID 155166560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).