bis(4-chlorophenoxy)methanimine

C13H9Cl2NO2 — CID 15716338

IUPACbis(4-chlorophenoxy)methanimine
SMILES[H]N=C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8,16H
InChIKeyXZQITXSTKUHFFS-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.39
Rot. Bonds2

About bis(4-chlorophenoxy)methanimine

bis(4-chlorophenoxy)methanimine (PubChem CID 15716338) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is bis(4-chlorophenoxy)methanimine.

Molecular Properties

Compound Namebis(4-chlorophenoxy)methanimine
PubChem CID15716338
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Namebis(4-chlorophenoxy)methanimine
SMILES[H]N=C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8,16H
InChIKeyXZQITXSTKUHFFS-UHFFFAOYSA-N
XLogP4.39
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride
CID 11326398
(4-chlorophenyl) acetate
CID 13410
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene
CID 143390143
potassium;(4-chlorophenyl) 2-aminoacetate;hydride
CID 174962254
(4-chlorophenyl) 2-methoxyacetate
CID 849221
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
(4-chlorophenyl) 2-hydroxyethyl carbonate
CID 54130253
(4-chlorophenyl) 2,3-dihydroxypropanoate
CID 23616443
O-(4-chlorophenyl) 2-chloro-2-oxoethanethioate
CID 168864372
(4-chlorophenyl) cycloprop-2-ene-1-carboxylate
CID 175603211

Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenoxy)methanimine?
The IUPAC name of bis(4-chlorophenoxy)methanimine (CID 15716338) is bis(4-chlorophenoxy)methanimine.
What is the SMILES notation for bis(4-chlorophenoxy)methanimine?
The canonical SMILES for bis(4-chlorophenoxy)methanimine is [H]N=C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenoxy)methanimine?
The InChIKey is XZQITXSTKUHFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-9-1-5-11(6-2-9)17-13(16)18-12-7-3-10(15)4-8-12/h1-8,16H.
What are the key properties of bis(4-chlorophenoxy)methanimine?
bis(4-chlorophenoxy)methanimine has a molecular weight of 282.13 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenoxy)methanimine is sourced from PubChem (CID 15716338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).