1-[1-(2-chloroethoxy)ethoxy]ethanol

C6H13ClO3 — CID 23500296

IUPAC1-[1-(2-chloroethoxy)ethoxy]ethanol
SMILESCC(O)OC(C)OCCCl
InChIInChI=1S/C6H13ClO3/c1-5(8)10-6(2)9-4-3-7/h5-6,8H,3-4H2,1-2H3
InChIKeyOWELXXHNANKNPF-UHFFFAOYSA-N
MW168.62 g/mol
LogP0.94
Rot. Bonds5

About 1-[1-(2-chloroethoxy)ethoxy]ethanol

1-[1-(2-chloroethoxy)ethoxy]ethanol (PubChem CID 23500296) has the molecular formula C6H13ClO3 and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-[1-(2-chloroethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-[1-(2-chloroethoxy)ethoxy]ethanol
PubChem CID23500296
Molecular FormulaC6H13ClO3
Molecular Weight168.62 g/mol
Exact Mass168.06
IUPAC Name1-[1-(2-chloroethoxy)ethoxy]ethanol
SMILESCC(O)OC(C)OCCCl
InChIInChI=1S/C6H13ClO3/c1-5(8)10-6(2)9-4-3-7/h5-6,8H,3-4H2,1-2H3
InChIKeyOWELXXHNANKNPF-UHFFFAOYSA-N
XLogP0.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(2-chloroethoxy)ethoxy]ethanol 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-[1-(2-chloroethoxy)ethoxy]ethanol?
The IUPAC name of 1-[1-(2-chloroethoxy)ethoxy]ethanol (CID 23500296) is 1-[1-(2-chloroethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-[1-(2-chloroethoxy)ethoxy]ethanol?
The canonical SMILES for 1-[1-(2-chloroethoxy)ethoxy]ethanol is CC(O)OC(C)OCCCl.
What is the InChIKey of 1-[1-(2-chloroethoxy)ethoxy]ethanol?
The InChIKey is OWELXXHNANKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3/c1-5(8)10-6(2)9-4-3-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-[1-(2-chloroethoxy)ethoxy]ethanol?
1-[1-(2-chloroethoxy)ethoxy]ethanol has a molecular weight of 168.62 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloroethoxy)ethoxy]ethanol is sourced from PubChem (CID 23500296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).