ethanol;2-hydroxypropanal

C5H12O3 — CID 88677819

IUPACethanol;2-hydroxypropanal
SMILESCC(O)C=O.CCO
InChIInChI=1S/C3H6O2.C2H6O/c1-3(5)2-4;1-2-3/h2-3,5H,1H3;3H,2H2,1H3
InChIKeyNXDCMJXIEUUGIE-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.44
Rot. Bonds1

About ethanol;2-hydroxypropanal

ethanol;2-hydroxypropanal (PubChem CID 88677819) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is ethanol;2-hydroxypropanal.

Molecular Properties

Compound Nameethanol;2-hydroxypropanal
PubChem CID88677819
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Nameethanol;2-hydroxypropanal
SMILESCC(O)C=O.CCO
InChIInChI=1S/C3H6O2.C2H6O/c1-3(5)2-4;1-2-3/h2-3,5H,1H3;3H,2H2,1H3
InChIKeyNXDCMJXIEUUGIE-UHFFFAOYSA-N
XLogP-0.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.44
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 ethanol;2-hydroxypropanal?
The IUPAC name of ethanol;2-hydroxypropanal (CID 88677819) is ethanol;2-hydroxypropanal.
What is the SMILES notation for ethanol;2-hydroxypropanal?
The canonical SMILES for ethanol;2-hydroxypropanal is CC(O)C=O.CCO.
What is the InChIKey of ethanol;2-hydroxypropanal?
The InChIKey is NXDCMJXIEUUGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H6O/c1-3(5)2-4;1-2-3/h2-3,5H,1H3;3H,2H2,1H3.
What are the key properties of ethanol;2-hydroxypropanal?
ethanol;2-hydroxypropanal has a molecular weight of 120.15 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxypropanal is sourced from PubChem (CID 88677819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).