6-(2-oxopentoxy)-1-benzofuran-3-one

C13H14O4 — CID 62042964

IUPAC6-(2-oxopentoxy)-1-benzofuran-3-one
SMILESCCCC(=O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H14O4/c1-2-3-9(14)7-16-10-4-5-11-12(15)8-17-13(11)6-10/h4-6H,2-3,7-8H2,1H3
InChIKeyONOMTTVQOQXAOB-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.01
Rot. Bonds5

About 6-(2-oxopentoxy)-1-benzofuran-3-one

6-(2-oxopentoxy)-1-benzofuran-3-one (PubChem CID 62042964) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-(2-oxopentoxy)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(2-oxopentoxy)-1-benzofuran-3-one
PubChem CID62042964
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name6-(2-oxopentoxy)-1-benzofuran-3-one
SMILESCCCC(=O)COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H14O4/c1-2-3-9(14)7-16-10-4-5-11-12(15)8-17-13(11)6-10/h4-6H,2-3,7-8H2,1H3
InChIKeyONOMTTVQOQXAOB-UHFFFAOYSA-N
XLogP2.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopentoxy)-1-benzofuran-3-one?
The IUPAC name of 6-(2-oxopentoxy)-1-benzofuran-3-one (CID 62042964) is 6-(2-oxopentoxy)-1-benzofuran-3-one.
What is the SMILES notation for 6-(2-oxopentoxy)-1-benzofuran-3-one?
The canonical SMILES for 6-(2-oxopentoxy)-1-benzofuran-3-one is CCCC(=O)COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-(2-oxopentoxy)-1-benzofuran-3-one?
The InChIKey is ONOMTTVQOQXAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-2-3-9(14)7-16-10-4-5-11-12(15)8-17-13(11)6-10/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 6-(2-oxopentoxy)-1-benzofuran-3-one?
6-(2-oxopentoxy)-1-benzofuran-3-one has a molecular weight of 234.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopentoxy)-1-benzofuran-3-one is sourced from PubChem (CID 62042964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).