5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid

C14H10O6 — CID 43516994

IUPAC5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccc3c(c2)OCC3=O)o1
InChIInChI=1S/C14H10O6/c15-11-7-19-13-5-8(1-3-10(11)13)18-6-9-2-4-12(20-9)14(16)17/h1-5H,6-7H2,(H,16,17)
InChIKeyVOBPLUBCLOVESJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.13
Rot. Bonds4

About 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid

5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid (PubChem CID 43516994) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid
PubChem CID43516994
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccc3c(c2)OCC3=O)o1
InChIInChI=1S/C14H10O6/c15-11-7-19-13-5-8(1-3-10(11)13)18-6-9-2-4-12(20-9)14(16)17/h1-5H,6-7H2,(H,16,17)
InChIKeyVOBPLUBCLOVESJ-UHFFFAOYSA-N
XLogP2.13
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide
CID 63569817
5-[(3-bromo-4-fluorophenoxy)methyl]furan-2-carboxylic acid
CID 83233800
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 705665
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 7015957
5-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxymethyl]furan-2-carboxylic acid
CID 20990847
5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 664461
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid (CID 43516994) is 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid is O=C(O)c1ccc(COc2ccc3c(c2)OCC3=O)o1.
What is the InChIKey of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid?
The InChIKey is VOBPLUBCLOVESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-11-7-19-13-5-8(1-3-10(11)13)18-6-9-2-4-12(20-9)14(16)17/h1-5H,6-7H2,(H,16,17).
What are the key properties of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid?
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid is sourced from PubChem (CID 43516994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).