5-(oxane-3-carbonyl)furan-2-carboxylic acid

C11H12O5 — CID 106946719

IUPAC5-(oxane-3-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2CCCOC2)o1
InChIInChI=1S/C11H12O5/c12-10(7-2-1-5-15-6-7)8-3-4-9(16-8)11(13)14/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyMWGBAFGQHKJKNT-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.59
Rot. Bonds3

About 5-(oxane-3-carbonyl)furan-2-carboxylic acid

5-(oxane-3-carbonyl)furan-2-carboxylic acid (PubChem CID 106946719) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-(oxane-3-carbonyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxane-3-carbonyl)furan-2-carboxylic acid
PubChem CID106946719
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name5-(oxane-3-carbonyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2CCCOC2)o1
InChIInChI=1S/C11H12O5/c12-10(7-2-1-5-15-6-7)8-3-4-9(16-8)11(13)14/h3-4,7H,1-2,5-6H2,(H,13,14)
InChIKeyMWGBAFGQHKJKNT-UHFFFAOYSA-N
XLogP1.59
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(oxane-3-carbonyl)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

Related Compounds

(5-methylfuran-2-yl)-(oxan-3-yl)methanone
CID 63011733
oxan-3-yl(phenyl)methanone
CID 63011351
(3R)-oxane-3-carboxylic acid
CID 42554318
[4-(2-aminoethyl)phenyl]-(oxan-3-yl)methanone
CID 107138390
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735
furan-2,5-dicarboxylic acid;indigane
CID 174700126
1-methyl-4-(oxane-3-carbonyl)pyrrole-2-carboxylic acid
CID 63010346
(3-chlorophenyl)-(oxan-3-yl)methanone
CID 65332391
5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566

Frequently Asked Questions

What is the IUPAC name of 5-(oxane-3-carbonyl)furan-2-carboxylic acid?
The IUPAC name of 5-(oxane-3-carbonyl)furan-2-carboxylic acid (CID 106946719) is 5-(oxane-3-carbonyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxane-3-carbonyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxane-3-carbonyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(=O)C2CCCOC2)o1.
What is the InChIKey of 5-(oxane-3-carbonyl)furan-2-carboxylic acid?
The InChIKey is MWGBAFGQHKJKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c12-10(7-2-1-5-15-6-7)8-3-4-9(16-8)11(13)14/h3-4,7H,1-2,5-6H2,(H,13,14).
What are the key properties of 5-(oxane-3-carbonyl)furan-2-carboxylic acid?
5-(oxane-3-carbonyl)furan-2-carboxylic acid has a molecular weight of 224.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxane-3-carbonyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).