methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol

C8H8Cl4O3 — CID 23617800

IUPACmethoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol
SMILESCOC.Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O2.C2H6O/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-3-2/h11-12H;1-2H3
InChIKeyMEFRXTJRFLOKEF-UHFFFAOYSA-N
MW293.96 g/mol
LogP3.97
Rot. Bonds

About methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol

methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol (PubChem CID 23617800) has the molecular formula C8H8Cl4O3 and a molecular weight of 293.96 g/mol. Its IUPAC name is methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol.

Molecular Properties

Compound Namemethoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol
PubChem CID23617800
Molecular FormulaC8H8Cl4O3
Molecular Weight293.96 g/mol
Exact Mass291.92
IUPAC Namemethoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol
SMILESCOC.Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6H2Cl4O2.C2H6O/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-3-2/h11-12H;1-2H3
InChIKeyMEFRXTJRFLOKEF-UHFFFAOYSA-N
XLogP3.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.96
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol?
The IUPAC name of methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol (CID 23617800) is methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol.
What is the SMILES notation for methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol?
The canonical SMILES for methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol is COC.Oc1c(O)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol?
The InChIKey is MEFRXTJRFLOKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4O2.C2H6O/c7-1-2(8)4(10)6(12)5(11)3(1)9;1-3-2/h11-12H;1-2H3.
What are the key properties of methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol?
methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol has a molecular weight of 293.96 g/mol, XLogP of 3.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;3,4,5,6-tetrachlorobenzene-1,2-diol is sourced from PubChem (CID 23617800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).