methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate

C8H12O5 — CID 89367734

IUPACmethyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate
SMILESCOC(=O)C1(OC)C=CC(CO)O1
InChIInChI=1S/C8H12O5/c1-11-7(10)8(12-2)4-3-6(5-9)13-8/h3-4,6,9H,5H2,1-2H3
InChIKeyJCMADMJZKHBMFG-UHFFFAOYSA-N
MW188.18 g/mol
LogP-0.55
Rot. Bonds3

About methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate

methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate (PubChem CID 89367734) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate
PubChem CID89367734
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namemethyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate
SMILESCOC(=O)C1(OC)C=CC(CO)O1
InChIInChI=1S/C8H12O5/c1-11-7(10)8(12-2)4-3-6(5-9)13-8/h3-4,6,9H,5H2,1-2H3
InChIKeyJCMADMJZKHBMFG-UHFFFAOYSA-N
XLogP-0.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate 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 methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate (CID 89367734) is methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate is COC(=O)C1(OC)C=CC(CO)O1.
What is the InChIKey of methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate?
The InChIKey is JCMADMJZKHBMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-11-7(10)8(12-2)4-3-6(5-9)13-8/h3-4,6,9H,5H2,1-2H3.
What are the key properties of methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate?
methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate has a molecular weight of 188.18 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-5-methoxy-2H-furan-5-carboxylate is sourced from PubChem (CID 89367734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).