1-methoxyethane-1,2-diol

C3H8O3 — CID 19869795

IUPAC1-methoxyethane-1,2-diol
SMILESCOC(O)CO
InChIInChI=1S/C3H8O3/c1-6-3(5)2-4/h3-5H,2H2,1H3
InChIKeyCSCSROFYRUZJJH-UHFFFAOYSA-N
MW92.09 g/mol
LogP-1.06
Rot. Bonds2

About 1-methoxyethane-1,2-diol

1-methoxyethane-1,2-diol (PubChem CID 19869795) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is 1-methoxyethane-1,2-diol.

Molecular Properties

Compound Name1-methoxyethane-1,2-diol
PubChem CID19869795
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Name1-methoxyethane-1,2-diol
SMILESCOC(O)CO
InChIInChI=1S/C3H8O3/c1-6-3(5)2-4/h3-5H,2H2,1H3
InChIKeyCSCSROFYRUZJJH-UHFFFAOYSA-N
XLogP-1.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyethane-1,2-diol?
The IUPAC name of 1-methoxyethane-1,2-diol (CID 19869795) is 1-methoxyethane-1,2-diol.
What is the SMILES notation for 1-methoxyethane-1,2-diol?
The canonical SMILES for 1-methoxyethane-1,2-diol is COC(O)CO.
What is the InChIKey of 1-methoxyethane-1,2-diol?
The InChIKey is CSCSROFYRUZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3/c1-6-3(5)2-4/h3-5H,2H2,1H3.
What are the key properties of 1-methoxyethane-1,2-diol?
1-methoxyethane-1,2-diol has a molecular weight of 92.09 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethane-1,2-diol is sourced from PubChem (CID 19869795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).