5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid

C11H16O5 — CID 79083530

IUPAC5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
SMILESCOCCCOC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O5/c1-8(15-7-3-6-14-2)9-4-5-10(16-9)11(12)13/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyZEOANYKQGQTAIM-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.09
Rot. Bonds7

About 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid

5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid (PubChem CID 79083530) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
PubChem CID79083530
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid
SMILESCOCCCOC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H16O5/c1-8(15-7-3-6-14-2)9-4-5-10(16-9)11(12)13/h4-5,8H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyZEOANYKQGQTAIM-UHFFFAOYSA-N
XLogP2.09
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1-(3-methoxypropoxy)ethyl]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-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
methyl 5-[1-(3-pyridin-4-ylpropoxy)ethyl]furan-2-carboxylate
CID 79086279
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
CID 106446592
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
1-(4-fluorophenyl)-2-(3-methoxypropoxy)propan-1-one
CID 54936830

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid (CID 79083530) is 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid is COCCCOC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid?
The InChIKey is ZEOANYKQGQTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-8(15-7-3-6-14-2)9-4-5-10(16-9)11(12)13/h4-5,8H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid?
5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid has a molecular weight of 228.24 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxypropoxy)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79083530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).