2-chloro-1-(chloromethoxy)ethanol

C3H6Cl2O2 — CID 91572055

IUPAC2-chloro-1-(chloromethoxy)ethanol
SMILESOC(CCl)OCCl
InChIInChI=1S/C3H6Cl2O2/c4-1-3(6)7-2-5/h3,6H,1-2H2
InChIKeyFPLBJCJOBHZJKZ-UHFFFAOYSA-N
MW144.98 g/mol
LogP0.76
Rot. Bonds3

About 2-chloro-1-(chloromethoxy)ethanol

2-chloro-1-(chloromethoxy)ethanol (PubChem CID 91572055) has the molecular formula C3H6Cl2O2 and a molecular weight of 144.98 g/mol. Its IUPAC name is 2-chloro-1-(chloromethoxy)ethanol.

Molecular Properties

Compound Name2-chloro-1-(chloromethoxy)ethanol
PubChem CID91572055
Molecular FormulaC3H6Cl2O2
Molecular Weight144.98 g/mol
Exact Mass143.97
IUPAC Name2-chloro-1-(chloromethoxy)ethanol
SMILESOC(CCl)OCCl
InChIInChI=1S/C3H6Cl2O2/c4-1-3(6)7-2-5/h3,6H,1-2H2
InChIKeyFPLBJCJOBHZJKZ-UHFFFAOYSA-N
XLogP0.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.98
LogP ≤ 50.76
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 2-chloro-1-(chloromethoxy)ethanol?
The IUPAC name of 2-chloro-1-(chloromethoxy)ethanol (CID 91572055) is 2-chloro-1-(chloromethoxy)ethanol.
What is the SMILES notation for 2-chloro-1-(chloromethoxy)ethanol?
The canonical SMILES for 2-chloro-1-(chloromethoxy)ethanol is OC(CCl)OCCl.
What is the InChIKey of 2-chloro-1-(chloromethoxy)ethanol?
The InChIKey is FPLBJCJOBHZJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O2/c4-1-3(6)7-2-5/h3,6H,1-2H2.
What are the key properties of 2-chloro-1-(chloromethoxy)ethanol?
2-chloro-1-(chloromethoxy)ethanol has a molecular weight of 144.98 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(chloromethoxy)ethanol is sourced from PubChem (CID 91572055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).