2-hydroxyethanolate

C2H5O2- — CID 13304337

IUPAC2-hydroxyethanolate
SMILES[O-]CCO
InChIInChI=1S/C2H5O2/c3-1-2-4/h3H,1-2H2/q-1
InChIKeyKAFPFCGFKVHRAN-UHFFFAOYSA-N
MW61.06 g/mol
LogP-1.66
Rot. Bonds1

About 2-hydroxyethanolate

2-hydroxyethanolate (PubChem CID 13304337) has the molecular formula C2H5O2- and a molecular weight of 61.06 g/mol. Its IUPAC name is 2-hydroxyethanolate.

Molecular Properties

Compound Name2-hydroxyethanolate
PubChem CID13304337
Molecular FormulaC2H5O2-
Molecular Weight61.06 g/mol
Exact Mass61.03
IUPAC Name2-hydroxyethanolate
SMILES[O-]CCO
InChIInChI=1S/C2H5O2/c3-1-2-4/h3H,1-2H2/q-1
InChIKeyKAFPFCGFKVHRAN-UHFFFAOYSA-N
XLogP-1.66
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.06
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethanolate?
The IUPAC name of 2-hydroxyethanolate (CID 13304337) is 2-hydroxyethanolate.
What is the SMILES notation for 2-hydroxyethanolate?
The canonical SMILES for 2-hydroxyethanolate is [O-]CCO.
What is the InChIKey of 2-hydroxyethanolate?
The InChIKey is KAFPFCGFKVHRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2/c3-1-2-4/h3H,1-2H2/q-1.
What are the key properties of 2-hydroxyethanolate?
2-hydroxyethanolate has a molecular weight of 61.06 g/mol, XLogP of -1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethanolate is sourced from PubChem (CID 13304337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).