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

C11H8O6 — CID 927848

IUPAC5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccc(C(=O)O)o2)o1
InChIInChI=1S/C11H8O6/c12-10(13)8-3-1-6(16-8)5-7-2-4-9(17-7)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyUBLUFCRWIXJFEJ-UHFFFAOYSA-N
MW236.18 g/mol
LogP1.86
Rot. Bonds4

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

5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid (PubChem CID 927848) has the molecular formula C11H8O6 and a molecular weight of 236.18 g/mol. Its IUPAC name is 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid
PubChem CID927848
Molecular FormulaC11H8O6
Molecular Weight236.18 g/mol
Exact Mass236.03
IUPAC Name5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccc(C(=O)O)o2)o1
InChIInChI=1S/C11H8O6/c12-10(13)8-3-1-6(16-8)5-7-2-4-9(17-7)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKeyUBLUFCRWIXJFEJ-UHFFFAOYSA-N
XLogP1.86
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxymethyl-2-furoic acid
CID 80642
2,5-Furandicarboxylic acid
CID 76720
Furoin
CID 11100
5-(2-Methoxyphenyl)-2-furoic acid
CID 776315
2-Furancarboxylic acid, 5-methyl-
CID 74710
5-Phenylfuran-2-carboxylic acid
CID 736255
Methyl 5-{[5-(methoxycarbonyl)furan-2-yl]methyl}furan-2-carboxylate
CID 372639
5-Formyl-2-furancarboxylic Acid
CID 2793719
5-Ethylfuran-2-carboxylic acid
CID 247392
5-(Phenoxymethyl)furan-2-carboxylic acid
CID 580491
2,2'-Bifuran
CID 80006
(2,2'-Bifuran)-5,5'-dicarbaldehyde
CID 605367

Frequently Asked Questions

What is the IUPAC name of 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid (CID 927848) is 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cc2ccc(C(=O)O)o2)o1.
What is the InChIKey of 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid?
The InChIKey is UBLUFCRWIXJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O6/c12-10(13)8-3-1-6(16-8)5-7-2-4-9(17-7)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15).
What are the key properties of 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid?
5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 927848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).