5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid

C9H12O4 — CID 644468

IUPAC5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1COC
InChIInChI=1S/C9H12O4/c1-3-7-6(5-12-2)4-8(13-7)9(10)11/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyLNTFJABOWLAOHQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.69
Rot. Bonds4

About 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid

5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid (PubChem CID 644468) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid
PubChem CID644468
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1COC
InChIInChI=1S/C9H12O4/c1-3-7-6(5-12-2)4-8(13-7)9(10)11/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyLNTFJABOWLAOHQ-UHFFFAOYSA-N
XLogP1.69
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-4-(methoxymethyl)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-ethyl-4-(methoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid (CID 644468) is 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid is CCc1oc(C(=O)O)cc1COC.
What is the InChIKey of 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid?
The InChIKey is LNTFJABOWLAOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-7-6(5-12-2)4-8(13-7)9(10)11/h4H,3,5H2,1-2H3,(H,10,11).
What are the key properties of 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid?
5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(methoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 644468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).