2-hydroxyacetaldehyde;methanol

C3H8O3 — CID 24768557

IUPAC2-hydroxyacetaldehyde;methanol
SMILESCO.O=CCO
InChIInChI=1S/C2H4O2.CH4O/c3-1-2-4;1-2/h1,4H,2H2;2H,1H3
InChIKeySLDXUSMPFCIUPS-UHFFFAOYSA-N
MW92.09 g/mol
LogP-1.21
Rot. Bonds1

About 2-hydroxyacetaldehyde;methanol

2-hydroxyacetaldehyde;methanol (PubChem CID 24768557) has the molecular formula C3H8O3 and a molecular weight of 92.09 g/mol. Its IUPAC name is 2-hydroxyacetaldehyde;methanol.

Molecular Properties

Compound Name2-hydroxyacetaldehyde;methanol
PubChem CID24768557
Molecular FormulaC3H8O3
Molecular Weight92.09 g/mol
Exact Mass92.05
IUPAC Name2-hydroxyacetaldehyde;methanol
SMILESCO.O=CCO
InChIInChI=1S/C2H4O2.CH4O/c3-1-2-4;1-2/h1,4H,2H2;2H,1H3
InChIKeySLDXUSMPFCIUPS-UHFFFAOYSA-N
XLogP-1.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.09
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetaldehyde;methanol?
The IUPAC name of 2-hydroxyacetaldehyde;methanol (CID 24768557) is 2-hydroxyacetaldehyde;methanol.
What is the SMILES notation for 2-hydroxyacetaldehyde;methanol?
The canonical SMILES for 2-hydroxyacetaldehyde;methanol is CO.O=CCO.
What is the InChIKey of 2-hydroxyacetaldehyde;methanol?
The InChIKey is SLDXUSMPFCIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH4O/c3-1-2-4;1-2/h1,4H,2H2;2H,1H3.
What are the key properties of 2-hydroxyacetaldehyde;methanol?
2-hydroxyacetaldehyde;methanol has a molecular weight of 92.09 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetaldehyde;methanol is sourced from PubChem (CID 24768557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).