1-(2-hydroxyethoxy)ethanol

C4H10O3 — CID 15357219

IUPAC1-(2-hydroxyethoxy)ethanol
SMILESCC(O)OCCO
InChIInChI=1S/C4H10O3/c1-4(6)7-3-2-5/h4-6H,2-3H2,1H3
InChIKeyRZYMXMZJVMXDRP-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.67
Rot. Bonds3

About 1-(2-hydroxyethoxy)ethanol

1-(2-hydroxyethoxy)ethanol (PubChem CID 15357219) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)ethanol
PubChem CID15357219
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name1-(2-hydroxyethoxy)ethanol
SMILESCC(O)OCCO
InChIInChI=1S/C4H10O3/c1-4(6)7-3-2-5/h4-6H,2-3H2,1H3
InChIKeyRZYMXMZJVMXDRP-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)ethanol?
The IUPAC name of 1-(2-hydroxyethoxy)ethanol (CID 15357219) is 1-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 1-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 1-(2-hydroxyethoxy)ethanol is CC(O)OCCO.
What is the InChIKey of 1-(2-hydroxyethoxy)ethanol?
The InChIKey is RZYMXMZJVMXDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-4(6)7-3-2-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(2-hydroxyethoxy)ethanol?
1-(2-hydroxyethoxy)ethanol 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-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 15357219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).