5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid

C10H8O5 — CID 106945911

IUPAC5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccco2)o1
InChIInChI=1S/C10H8O5/c11-9(6-2-1-5-14-6)7-3-4-8(15-7)10(12)13/h1-5,9,11H,(H,12,13)
InChIKeySSVLYQQWJOJXRJ-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.65
Rot. Bonds3

About 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid

5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid (PubChem CID 106945911) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
PubChem CID106945911
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)c2ccco2)o1
InChIInChI=1S/C10H8O5/c11-9(6-2-1-5-14-6)7-3-4-8(15-7)10(12)13/h1-5,9,11H,(H,12,13)
InChIKeySSVLYQQWJOJXRJ-UHFFFAOYSA-N
XLogP1.65
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
furan-2-carboxylic acid;furan-2,5-dicarboxylic acid
CID 158946082
5-[hydroxy(naphthalen-1-yl)methyl]furan-2-carboxylic acid
CID 91995996
5-[(2-tert-butylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947428
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
CID 170823605
5-[hydroxy(thiophen-3-yl)methyl]furan-2-carboxylic acid
CID 106945921
furan-2-carboxylic acid;silver
CID 87285311
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
5-[hydroxy-(1-phenylpyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 106945907
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
2-[furan-2-yl(hydroxy)methyl]thiophene-3-carboxylic acid
CID 107432097

Frequently Asked Questions

What is the IUPAC name of 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid (CID 106945911) is 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)c2ccco2)o1.
What is the InChIKey of 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid?
The InChIKey is SSVLYQQWJOJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-9(6-2-1-5-14-6)7-3-4-8(15-7)10(12)13/h1-5,9,11H,(H,12,13).
What are the key properties of 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid?
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106945911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).