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

C13H16O4 — CID 106452922

IUPAC6-(2-propoxyethoxy)-1-benzofuran-3-one
SMILESCCCOCCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H16O4/c1-2-5-15-6-7-16-10-3-4-11-12(14)9-17-13(11)8-10/h3-4,8H,2,5-7,9H2,1H3
InChIKeySVUSSZXQINYXHH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.07
Rot. Bonds6

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

6-(2-propoxyethoxy)-1-benzofuran-3-one (PubChem CID 106452922) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-propoxyethoxy)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(2-propoxyethoxy)-1-benzofuran-3-one
PubChem CID106452922
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name6-(2-propoxyethoxy)-1-benzofuran-3-one
SMILESCCCOCCOc1ccc2c(c1)OCC2=O
InChIInChI=1S/C13H16O4/c1-2-5-15-6-7-16-10-3-4-11-12(14)9-17-13(11)8-10/h3-4,8H,2,5-7,9H2,1H3
InChIKeySVUSSZXQINYXHH-UHFFFAOYSA-N
XLogP2.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2,2,2-trifluoroethoxy)ethoxy]-1-benzofuran-3-one
CID 63097111
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
N-ethyl-3-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094835
6-pent-3-ynoxy-1-benzofuran-3-one
CID 104807818
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
6-(5-oxohexoxy)-1-benzofuran-3-one
CID 62033271
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467
6-methoxy-1-benzofuran-3-one
CID 585368
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542

Frequently Asked Questions

What is the IUPAC name of 6-(2-propoxyethoxy)-1-benzofuran-3-one?
The IUPAC name of 6-(2-propoxyethoxy)-1-benzofuran-3-one (CID 106452922) is 6-(2-propoxyethoxy)-1-benzofuran-3-one.
What is the SMILES notation for 6-(2-propoxyethoxy)-1-benzofuran-3-one?
The canonical SMILES for 6-(2-propoxyethoxy)-1-benzofuran-3-one is CCCOCCOc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-(2-propoxyethoxy)-1-benzofuran-3-one?
The InChIKey is SVUSSZXQINYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-5-15-6-7-16-10-3-4-11-12(14)9-17-13(11)8-10/h3-4,8H,2,5-7,9H2,1H3.
What are the key properties of 6-(2-propoxyethoxy)-1-benzofuran-3-one?
6-(2-propoxyethoxy)-1-benzofuran-3-one has a molecular weight of 236.27 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propoxyethoxy)-1-benzofuran-3-one is sourced from PubChem (CID 106452922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).