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

C6H12Cl2O3 — CID 175056400

IUPAC1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
SMILESOC(Cl)COCCOCCCl
InChIInChI=1S/C6H12Cl2O3/c7-1-2-10-3-4-11-5-6(8)9/h6,9H,1-5H2
InChIKeyZEIVQZCHBADRLG-UHFFFAOYSA-N
MW203.06 g/mol
LogP0.82
Rot. Bonds7

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

1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol (PubChem CID 175056400) has the molecular formula C6H12Cl2O3 and a molecular weight of 203.06 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
PubChem CID175056400
Molecular FormulaC6H12Cl2O3
Molecular Weight203.06 g/mol
Exact Mass202.02
IUPAC Name1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol
SMILESOC(Cl)COCCOCCCl
InChIInChI=1S/C6H12Cl2O3/c7-1-2-10-3-4-11-5-6(8)9/h6,9H,1-5H2
InChIKeyZEIVQZCHBADRLG-UHFFFAOYSA-N
XLogP0.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.06
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol?
The IUPAC name of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol (CID 175056400) is 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol.
What is the SMILES notation for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol?
The canonical SMILES for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol is OC(Cl)COCCOCCCl.
What is the InChIKey of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol?
The InChIKey is ZEIVQZCHBADRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O3/c7-1-2-10-3-4-11-5-6(8)9/h6,9H,1-5H2.
What are the key properties of 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol?
1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol has a molecular weight of 203.06 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(2-chloroethoxy)ethoxy]ethanol is sourced from PubChem (CID 175056400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).