1-ethoxyethane-1,2-diol

C4H10O3 — CID 18003345

IUPAC1-ethoxyethane-1,2-diol
SMILESCCOC(O)CO
InChIInChI=1S/C4H10O3/c1-2-7-4(6)3-5/h4-6H,2-3H2,1H3
InChIKeyWWVBRUMYFUDEJQ-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.67
Rot. Bonds3

About 1-ethoxyethane-1,2-diol

1-ethoxyethane-1,2-diol (PubChem CID 18003345) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 1-ethoxyethane-1,2-diol.

Molecular Properties

Compound Name1-ethoxyethane-1,2-diol
PubChem CID18003345
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name1-ethoxyethane-1,2-diol
SMILESCCOC(O)CO
InChIInChI=1S/C4H10O3/c1-2-7-4(6)3-5/h4-6H,2-3H2,1H3
InChIKeyWWVBRUMYFUDEJQ-UHFFFAOYSA-N
XLogP-0.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxyethane-1,2-diol 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 1-ethoxyethane-1,2-diol?
The IUPAC name of 1-ethoxyethane-1,2-diol (CID 18003345) is 1-ethoxyethane-1,2-diol.
What is the SMILES notation for 1-ethoxyethane-1,2-diol?
The canonical SMILES for 1-ethoxyethane-1,2-diol is CCOC(O)CO.
What is the InChIKey of 1-ethoxyethane-1,2-diol?
The InChIKey is WWVBRUMYFUDEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-2-7-4(6)3-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-ethoxyethane-1,2-diol?
1-ethoxyethane-1,2-diol has a molecular weight of 106.12 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethane-1,2-diol is sourced from PubChem (CID 18003345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).