2,2-dichloro-1-methoxyethanol

C3H6Cl2O2 — CID 88671525

IUPAC2,2-dichloro-1-methoxyethanol
SMILESCOC(O)C(Cl)Cl
InChIInChI=1S/C3H6Cl2O2/c1-7-3(6)2(4)5/h2-3,6H,1H3
InChIKeyCQFALTOJKXNBNO-UHFFFAOYSA-N
MW144.98 g/mol
LogP0.75
Rot. Bonds2

About 2,2-dichloro-1-methoxyethanol

2,2-dichloro-1-methoxyethanol (PubChem CID 88671525) has the molecular formula C3H6Cl2O2 and a molecular weight of 144.98 g/mol. Its IUPAC name is 2,2-dichloro-1-methoxyethanol.

Molecular Properties

Compound Name2,2-dichloro-1-methoxyethanol
PubChem CID88671525
Molecular FormulaC3H6Cl2O2
Molecular Weight144.98 g/mol
Exact Mass143.97
IUPAC Name2,2-dichloro-1-methoxyethanol
SMILESCOC(O)C(Cl)Cl
InChIInChI=1S/C3H6Cl2O2/c1-7-3(6)2(4)5/h2-3,6H,1H3
InChIKeyCQFALTOJKXNBNO-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
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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Related Compounds

2,2-Dichloroethane-1,1-diol
CID 85275
2-Chloro-1-methoxyethanol
CID 3017616
2,2,2-Trichloro-1-methoxyethanol
CID 86694
1-(Dichloromethoxy)ethanol
CID 57097058
2,2-Dichloro-1-ethoxyethanol
CID 18421058
1-(1,2,2-Trichloroethoxy)ethanol
CID 21909478
Chloro(2,2-dichloroethoxy)methanol
CID 56621046
Chloro(1-chloroethoxy)methanol
CID 58019189
1-(2,2-Dichloroethoxy)ethan-1-ol
CID 71334748
1-(Trichloromethoxy)ethanol
CID 85720691
Chloro(2-chloroethoxy)methanol
CID 91056767
2-Chloro-1-(chloromethoxy)ethanol
CID 91572055

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methoxyethanol?
The IUPAC name of 2,2-dichloro-1-methoxyethanol (CID 88671525) is 2,2-dichloro-1-methoxyethanol.
What is the SMILES notation for 2,2-dichloro-1-methoxyethanol?
The canonical SMILES for 2,2-dichloro-1-methoxyethanol is COC(O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methoxyethanol?
The InChIKey is CQFALTOJKXNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O2/c1-7-3(6)2(4)5/h2-3,6H,1H3.
What are the key properties of 2,2-dichloro-1-methoxyethanol?
2,2-dichloro-1-methoxyethanol has a molecular weight of 144.98 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methoxyethanol is sourced from PubChem (CID 88671525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).