methoxy(oxiran-2-yl)methanol

C4H8O3 — CID 20559064

IUPACmethoxy(oxiran-2-yl)methanol
SMILESCOC(O)C1CO1
InChIInChI=1S/C4H8O3/c1-6-4(5)3-2-7-3/h3-5H,2H2,1H3
InChIKeyYTVMXUHMLJBKNL-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.65
Rot. Bonds2

About methoxy(oxiran-2-yl)methanol

methoxy(oxiran-2-yl)methanol (PubChem CID 20559064) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is methoxy(oxiran-2-yl)methanol.

Molecular Properties

Compound Namemethoxy(oxiran-2-yl)methanol
PubChem CID20559064
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Namemethoxy(oxiran-2-yl)methanol
SMILESCOC(O)C1CO1
InChIInChI=1S/C4H8O3/c1-6-4(5)3-2-7-3/h3-5H,2H2,1H3
InChIKeyYTVMXUHMLJBKNL-UHFFFAOYSA-N
XLogP-0.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methoxy(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 methoxy(oxiran-2-yl)methanol?
The IUPAC name of methoxy(oxiran-2-yl)methanol (CID 20559064) is methoxy(oxiran-2-yl)methanol.
What is the SMILES notation for methoxy(oxiran-2-yl)methanol?
The canonical SMILES for methoxy(oxiran-2-yl)methanol is COC(O)C1CO1.
What is the InChIKey of methoxy(oxiran-2-yl)methanol?
The InChIKey is YTVMXUHMLJBKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-6-4(5)3-2-7-3/h3-5H,2H2,1H3.
What are the key properties of methoxy(oxiran-2-yl)methanol?
methoxy(oxiran-2-yl)methanol has a molecular weight of 104.11 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(oxiran-2-yl)methanol is sourced from PubChem (CID 20559064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).