ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate

C11H10O5 — CID 71600825

IUPACethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)OC2O
InChIInChI=1S/C11H10O5/c1-2-15-9(12)6-3-4-7-8(5-6)11(14)16-10(7)13/h3-5,10,13H,2H2,1H3
InChIKeyKJHAOLGYLOZWRH-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.02
Rot. Bonds2

About ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate

ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate (PubChem CID 71600825) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate
PubChem CID71600825
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Nameethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)C(=O)OC2O
InChIInChI=1S/C11H10O5/c1-2-15-9(12)6-3-4-7-8(5-6)11(14)16-10(7)13/h3-5,10,13H,2H2,1H3
InChIKeyKJHAOLGYLOZWRH-UHFFFAOYSA-N
XLogP1.02
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate?
The IUPAC name of ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate (CID 71600825) is ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate is CCOC(=O)c1ccc2c(c1)C(=O)OC2O.
What is the InChIKey of ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate?
The InChIKey is KJHAOLGYLOZWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-2-15-9(12)6-3-4-7-8(5-6)11(14)16-10(7)13/h3-5,10,13H,2H2,1H3.
What are the key properties of ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate?
ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-3-oxo-1H-2-benzofuran-5-carboxylate is sourced from PubChem (CID 71600825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).