2-chloro-2-methoxyethanol

C3H7ClO2 — CID 14669694

IUPAC2-chloro-2-methoxyethanol
SMILESCOC(Cl)CO
InChIInChI=1S/C3H7ClO2/c1-6-3(4)2-5/h3,5H,2H2,1H3
InChIKeySCKLRAVSMCUYQE-UHFFFAOYSA-N
MW110.54 g/mol
LogP0.19
Rot. Bonds2

About 2-chloro-2-methoxyethanol

2-chloro-2-methoxyethanol (PubChem CID 14669694) has the molecular formula C3H7ClO2 and a molecular weight of 110.54 g/mol. Its IUPAC name is 2-chloro-2-methoxyethanol.

Molecular Properties

Compound Name2-chloro-2-methoxyethanol
PubChem CID14669694
Molecular FormulaC3H7ClO2
Molecular Weight110.54 g/mol
Exact Mass110.01
IUPAC Name2-chloro-2-methoxyethanol
SMILESCOC(Cl)CO
InChIInChI=1S/C3H7ClO2/c1-6-3(4)2-5/h3,5H,2H2,1H3
InChIKeySCKLRAVSMCUYQE-UHFFFAOYSA-N
XLogP0.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.54
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methoxyethanol?
The IUPAC name of 2-chloro-2-methoxyethanol (CID 14669694) is 2-chloro-2-methoxyethanol.
What is the SMILES notation for 2-chloro-2-methoxyethanol?
The canonical SMILES for 2-chloro-2-methoxyethanol is COC(Cl)CO.
What is the InChIKey of 2-chloro-2-methoxyethanol?
The InChIKey is SCKLRAVSMCUYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO2/c1-6-3(4)2-5/h3,5H,2H2,1H3.
What are the key properties of 2-chloro-2-methoxyethanol?
2-chloro-2-methoxyethanol has a molecular weight of 110.54 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methoxyethanol is sourced from PubChem (CID 14669694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).