1-(2,2-dichloroethoxy)ethanol

C4H8Cl2O2 — CID 71334748

IUPAC1-(2,2-dichloroethoxy)ethanol
SMILESCC(O)OCC(Cl)Cl
InChIInChI=1S/C4H8Cl2O2/c1-3(7)8-2-4(5)6/h3-4,7H,2H2,1H3
InChIKeyNOWISTCUIZRHBG-UHFFFAOYSA-N
MW159.01 g/mol
LogP1.14
Rot. Bonds3

About 1-(2,2-dichloroethoxy)ethanol

1-(2,2-dichloroethoxy)ethanol (PubChem CID 71334748) has the molecular formula C4H8Cl2O2 and a molecular weight of 159.01 g/mol. Its IUPAC name is 1-(2,2-dichloroethoxy)ethanol.

Molecular Properties

Compound Name1-(2,2-dichloroethoxy)ethanol
PubChem CID71334748
Molecular FormulaC4H8Cl2O2
Molecular Weight159.01 g/mol
Exact Mass157.99
IUPAC Name1-(2,2-dichloroethoxy)ethanol
SMILESCC(O)OCC(Cl)Cl
InChIInChI=1S/C4H8Cl2O2/c1-3(7)8-2-4(5)6/h3-4,7H,2H2,1H3
InChIKeyNOWISTCUIZRHBG-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.01
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(2,2-dichloroethoxy)ethanol?
The IUPAC name of 1-(2,2-dichloroethoxy)ethanol (CID 71334748) is 1-(2,2-dichloroethoxy)ethanol.
What is the SMILES notation for 1-(2,2-dichloroethoxy)ethanol?
The canonical SMILES for 1-(2,2-dichloroethoxy)ethanol is CC(O)OCC(Cl)Cl.
What is the InChIKey of 1-(2,2-dichloroethoxy)ethanol?
The InChIKey is NOWISTCUIZRHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O2/c1-3(7)8-2-4(5)6/h3-4,7H,2H2,1H3.
What are the key properties of 1-(2,2-dichloroethoxy)ethanol?
1-(2,2-dichloroethoxy)ethanol has a molecular weight of 159.01 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloroethoxy)ethanol is sourced from PubChem (CID 71334748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).