1-(dichloromethoxy)ethanol

C3H6Cl2O2 — CID 57097058

IUPAC1-(dichloromethoxy)ethanol
SMILESCC(O)OC(Cl)Cl
InChIInChI=1S/C3H6Cl2O2/c1-2(6)7-3(4)5/h2-3,6H,1H3
InChIKeyYUTOYWPOYXLWBM-UHFFFAOYSA-N
MW144.98 g/mol
LogP1.10
Rot. Bonds2

About 1-(dichloromethoxy)ethanol

1-(dichloromethoxy)ethanol (PubChem CID 57097058) has the molecular formula C3H6Cl2O2 and a molecular weight of 144.98 g/mol. Its IUPAC name is 1-(dichloromethoxy)ethanol.

Molecular Properties

Compound Name1-(dichloromethoxy)ethanol
PubChem CID57097058
Molecular FormulaC3H6Cl2O2
Molecular Weight144.98 g/mol
Exact Mass143.97
IUPAC Name1-(dichloromethoxy)ethanol
SMILESCC(O)OC(Cl)Cl
InChIInChI=1S/C3H6Cl2O2/c1-2(6)7-3(4)5/h2-3,6H,1H3
InChIKeyYUTOYWPOYXLWBM-UHFFFAOYSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.98
LogP ≤ 51.10
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-(dichloromethoxy)ethanol?
The IUPAC name of 1-(dichloromethoxy)ethanol (CID 57097058) is 1-(dichloromethoxy)ethanol.
What is the SMILES notation for 1-(dichloromethoxy)ethanol?
The canonical SMILES for 1-(dichloromethoxy)ethanol is CC(O)OC(Cl)Cl.
What is the InChIKey of 1-(dichloromethoxy)ethanol?
The InChIKey is YUTOYWPOYXLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O2/c1-2(6)7-3(4)5/h2-3,6H,1H3.
What are the key properties of 1-(dichloromethoxy)ethanol?
1-(dichloromethoxy)ethanol has a molecular weight of 144.98 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethoxy)ethanol is sourced from PubChem (CID 57097058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).