2-(hydroxymethyl)-3H-furan-2-carboxylic acid

C6H8O4 — CID 90266186

IUPAC2-(hydroxymethyl)-3H-furan-2-carboxylic acid
SMILESO=C(O)C1(CO)CC=CO1
InChIInChI=1S/C6H8O4/c7-4-6(5(8)9)2-1-3-10-6/h1,3,7H,2,4H2,(H,8,9)
InChIKeyXOJGJKCNLQYXFS-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.26
Rot. Bonds2

About 2-(hydroxymethyl)-3H-furan-2-carboxylic acid

2-(hydroxymethyl)-3H-furan-2-carboxylic acid (PubChem CID 90266186) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3H-furan-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-3H-furan-2-carboxylic acid
PubChem CID90266186
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2-(hydroxymethyl)-3H-furan-2-carboxylic acid
SMILESO=C(O)C1(CO)CC=CO1
InChIInChI=1S/C6H8O4/c7-4-6(5(8)9)2-1-3-10-6/h1,3,7H,2,4H2,(H,8,9)
InChIKeyXOJGJKCNLQYXFS-UHFFFAOYSA-N
XLogP-0.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(hydroxymethyl)-3H-furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3H-furan-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-3H-furan-2-carboxylic acid (CID 90266186) is 2-(hydroxymethyl)-3H-furan-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-3H-furan-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-3H-furan-2-carboxylic acid is O=C(O)C1(CO)CC=CO1.
What is the InChIKey of 2-(hydroxymethyl)-3H-furan-2-carboxylic acid?
The InChIKey is XOJGJKCNLQYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-4-6(5(8)9)2-1-3-10-6/h1,3,7H,2,4H2,(H,8,9).
What are the key properties of 2-(hydroxymethyl)-3H-furan-2-carboxylic acid?
2-(hydroxymethyl)-3H-furan-2-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3H-furan-2-carboxylic acid is sourced from PubChem (CID 90266186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).