[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C17H14O5 — CID 8861643

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)c2cc3ccccc3o2)c(C)o1
InChIInChI=1S/C17H14O5/c1-10-7-13(11(2)21-10)17(19)20-9-14(18)16-8-12-5-3-4-6-15(12)22-16/h3-8H,9H2,1-2H3
InChIKeyUTJBEUWBWVIMPF-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.68
Rot. Bonds4

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 8861643) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID8861643
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)c2cc3ccccc3o2)c(C)o1
InChIInChI=1S/C17H14O5/c1-10-7-13(11(2)21-10)17(19)20-9-14(18)16-8-12-5-3-4-6-15(12)22-16/h3-8H,9H2,1-2H3
InChIKeyUTJBEUWBWVIMPF-UHFFFAOYSA-N
XLogP3.68
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386600
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2532000
[2-(4-bromophenyl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584960
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193619

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 8861643) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)c2cc3ccccc3o2)c(C)o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is UTJBEUWBWVIMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-10-7-13(11(2)21-10)17(19)20-9-14(18)16-8-12-5-3-4-6-15(12)22-16/h3-8H,9H2,1-2H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 298.29 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 8861643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).