[3-(hydroxymethylidene)oxiran-2-yl]methanol

C4H6O3 — CID 156773085

IUPAC[3-(hydroxymethylidene)oxiran-2-yl]methanol
SMILESOC=C1OC1CO
InChIInChI=1S/C4H6O3/c5-1-3-4(2-6)7-3/h1,4-6H,2H2
InChIKeyWCDRBQUOLGVSEQ-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.22
Rot. Bonds1

About [3-(hydroxymethylidene)oxiran-2-yl]methanol

[3-(hydroxymethylidene)oxiran-2-yl]methanol (PubChem CID 156773085) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is [3-(hydroxymethylidene)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethylidene)oxiran-2-yl]methanol
PubChem CID156773085
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name[3-(hydroxymethylidene)oxiran-2-yl]methanol
SMILESOC=C1OC1CO
InChIInChI=1S/C4H6O3/c5-1-3-4(2-6)7-3/h1,4-6H,2H2
InChIKeyWCDRBQUOLGVSEQ-UHFFFAOYSA-N
XLogP-0.22
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [3-(hydroxymethylidene)oxiran-2-yl]methanol 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 [3-(hydroxymethylidene)oxiran-2-yl]methanol?
The IUPAC name of [3-(hydroxymethylidene)oxiran-2-yl]methanol (CID 156773085) is [3-(hydroxymethylidene)oxiran-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethylidene)oxiran-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethylidene)oxiran-2-yl]methanol is OC=C1OC1CO.
What is the InChIKey of [3-(hydroxymethylidene)oxiran-2-yl]methanol?
The InChIKey is WCDRBQUOLGVSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c5-1-3-4(2-6)7-3/h1,4-6H,2H2.
What are the key properties of [3-(hydroxymethylidene)oxiran-2-yl]methanol?
[3-(hydroxymethylidene)oxiran-2-yl]methanol has a molecular weight of 102.09 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethylidene)oxiran-2-yl]methanol is sourced from PubChem (CID 156773085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).