2-hydroxy-3-methoxypropanal

C4H8O3 — CID 10419143

IUPAC2-hydroxy-3-methoxypropanal
SMILESCOCC(O)C=O
InChIInChI=1S/C4H8O3/c1-7-3-4(6)2-5/h2,4,6H,3H2,1H3
InChIKeyOHLOPQAAMJVRMC-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.81
Rot. Bonds3

About 2-hydroxy-3-methoxypropanal

2-hydroxy-3-methoxypropanal (PubChem CID 10419143) has the molecular formula C4H8O3 and a molecular weight of 104.11 g/mol. Its IUPAC name is 2-hydroxy-3-methoxypropanal.

Molecular Properties

Compound Name2-hydroxy-3-methoxypropanal
PubChem CID10419143
Molecular FormulaC4H8O3
Molecular Weight104.11 g/mol
Exact Mass104.05
IUPAC Name2-hydroxy-3-methoxypropanal
SMILESCOCC(O)C=O
InChIInChI=1S/C4H8O3/c1-7-3-4(6)2-5/h2,4,6H,3H2,1H3
InChIKeyOHLOPQAAMJVRMC-UHFFFAOYSA-N
XLogP-0.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
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-hydroxy-3-methoxypropanal?
The IUPAC name of 2-hydroxy-3-methoxypropanal (CID 10419143) is 2-hydroxy-3-methoxypropanal.
What is the SMILES notation for 2-hydroxy-3-methoxypropanal?
The canonical SMILES for 2-hydroxy-3-methoxypropanal is COCC(O)C=O.
What is the InChIKey of 2-hydroxy-3-methoxypropanal?
The InChIKey is OHLOPQAAMJVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-7-3-4(6)2-5/h2,4,6H,3H2,1H3.
What are the key properties of 2-hydroxy-3-methoxypropanal?
2-hydroxy-3-methoxypropanal has a molecular weight of 104.11 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxypropanal is sourced from PubChem (CID 10419143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).