2-hydroxybutanal

C4H8O2 — CID 10154000

IUPAC2-hydroxybutanal
SMILESCCC(O)C=O
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3
InChIKeyUIKQNMXWCYQNCS-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.04
Rot. Bonds2

About 2-hydroxybutanal

2-hydroxybutanal (PubChem CID 10154000) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 2-hydroxybutanal.

Molecular Properties

Compound Name2-hydroxybutanal
PubChem CID10154000
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name2-hydroxybutanal
SMILESCCC(O)C=O
InChIInChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3
InChIKeyUIKQNMXWCYQNCS-UHFFFAOYSA-N
XLogP-0.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxybutanal 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 2-hydroxybutanal?
The IUPAC name of 2-hydroxybutanal (CID 10154000) is 2-hydroxybutanal.
What is the SMILES notation for 2-hydroxybutanal?
The canonical SMILES for 2-hydroxybutanal is CCC(O)C=O.
What is the InChIKey of 2-hydroxybutanal?
The InChIKey is UIKQNMXWCYQNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3.
What are the key properties of 2-hydroxybutanal?
2-hydroxybutanal has a molecular weight of 88.11 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanal is sourced from PubChem (CID 10154000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).