chloro(1-chloroethoxy)methanol

C3H6Cl2O2 — CID 58019189

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

About chloro(1-chloroethoxy)methanol

chloro(1-chloroethoxy)methanol (PubChem CID 58019189) has the molecular formula C3H6Cl2O2 and a molecular weight of 144.98 g/mol. Its IUPAC name is chloro(1-chloroethoxy)methanol.

Molecular Properties

Compound Namechloro(1-chloroethoxy)methanol
PubChem CID58019189
Molecular FormulaC3H6Cl2O2
Molecular Weight144.98 g/mol
Exact Mass143.97
IUPAC Namechloro(1-chloroethoxy)methanol
SMILESCC(Cl)OC(O)Cl
InChIInChI=1S/C3H6Cl2O2/c1-2(4)7-3(5)6/h2-3,6H,1H3
InChIKeyKVDIPCMVAWNHOB-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 chloro(1-chloroethoxy)methanol?
The IUPAC name of chloro(1-chloroethoxy)methanol (CID 58019189) is chloro(1-chloroethoxy)methanol.
What is the SMILES notation for chloro(1-chloroethoxy)methanol?
The canonical SMILES for chloro(1-chloroethoxy)methanol is CC(Cl)OC(O)Cl.
What is the InChIKey of chloro(1-chloroethoxy)methanol?
The InChIKey is KVDIPCMVAWNHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O2/c1-2(4)7-3(5)6/h2-3,6H,1H3.
What are the key properties of chloro(1-chloroethoxy)methanol?
chloro(1-chloroethoxy)methanol 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 chloro(1-chloroethoxy)methanol is sourced from PubChem (CID 58019189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).