5-(acetyloxymethyl)furan-2-carboxylic acid

C8H8O5 — CID 10330015

IUPAC5-(acetyloxymethyl)furan-2-carboxylic acid
SMILESCC(=O)OCc1ccc(C(=O)O)o1
InChIInChI=1S/C8H8O5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyVEHIMKWMEKVUMD-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.04
Rot. Bonds3

About 5-(acetyloxymethyl)furan-2-carboxylic acid

5-(acetyloxymethyl)furan-2-carboxylic acid (PubChem CID 10330015) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-(acetyloxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(acetyloxymethyl)furan-2-carboxylic acid
PubChem CID10330015
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name5-(acetyloxymethyl)furan-2-carboxylic acid
SMILESCC(=O)OCc1ccc(C(=O)O)o1
InChIInChI=1S/C8H8O5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyVEHIMKWMEKVUMD-UHFFFAOYSA-N
XLogP1.04
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(acetyloxymethyl)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 5-(acetyloxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(acetyloxymethyl)furan-2-carboxylic acid (CID 10330015) is 5-(acetyloxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(acetyloxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(acetyloxymethyl)furan-2-carboxylic acid is CC(=O)OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(acetyloxymethyl)furan-2-carboxylic acid?
The InChIKey is VEHIMKWMEKVUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 5-(acetyloxymethyl)furan-2-carboxylic acid?
5-(acetyloxymethyl)furan-2-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acetyloxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 10330015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).