5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid

C12H10O5 — CID 169229514

IUPAC5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
SMILESCC(=O)COc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C12H10O5/c1-7(13)6-16-9-2-3-10-8(4-9)5-11(17-10)12(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBMQFGMZRJFJIBY-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.10
Rot. Bonds4

About 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid

5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid (PubChem CID 169229514) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
PubChem CID169229514
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid
SMILESCC(=O)COc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C12H10O5/c1-7(13)6-16-9-2-3-10-8(4-9)5-11(17-10)12(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyBMQFGMZRJFJIBY-UHFFFAOYSA-N
XLogP2.10
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butoxy-1-benzofuran-2-carboxylic acid
CID 67998736
5-[(dimethylamino)methoxy]-1-benzofuran-2-carboxylic acid
CID 142789197
6-(2-oxopropoxy)chromen-2-one
CID 58420964
5-[(methoxyamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103254337
5-(4-nonoxyphenyl)-1-benzofuran-2-carboxylic acid
CID 70101078
5-(3-ethoxy-3-oxoprop-1-enyl)-1-benzofuran-2-carboxylic acid
CID 169480947
5-(methoxymethoxy)-N,N-dimethyl-1-benzofuran-2-carboxamide
CID 175692247
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
5-[(2-methylpropan-2-yl)oxycarbonyl]-1-benzofuran-2-carboxylic acid
CID 13364056
5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
CID 13343422
5-[(4-methylanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103234858
5-(butoxymethyl)-1-benzofuran-2-carboxylic acid
CID 65293465

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid (CID 169229514) is 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid is CC(=O)COc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid?
The InChIKey is BMQFGMZRJFJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c1-7(13)6-16-9-2-3-10-8(4-9)5-11(17-10)12(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid?
5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropoxy)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 169229514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).