2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C20H11Cl3F3NO2 — CID 3382643

IUPAC2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C20H11Cl3F3NO2/c21-13-2-4-15(5-3-13)29-18-6-1-12(20(24,25)26)8-17(18)27-10-11-7-14(22)9-16(23)19(11)28/h1-10,28H/b27-10+
InChIKeyVSKKZMGXAGCJLP-YPXUMCKCSA-N
MW460.67 g/mol
LogP7.91
Rot. Bonds4

About 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 3382643) has the molecular formula C20H11Cl3F3NO2 and a molecular weight of 460.67 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID3382643
Molecular FormulaC20H11Cl3F3NO2
Molecular Weight460.67 g/mol
Exact Mass458.98
IUPAC Name2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C20H11Cl3F3NO2/c21-13-2-4-15(5-3-13)29-18-6-1-12(20(24,25)26)8-17(18)27-10-11-7-14(22)9-16(23)19(11)28/h1-10,28H/b27-10+
InChIKeyVSKKZMGXAGCJLP-YPXUMCKCSA-N
XLogP7.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 3382643) is 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is VSKKZMGXAGCJLP-YPXUMCKCSA-N. The full InChI is InChI=1S/C20H11Cl3F3NO2/c21-13-2-4-15(5-3-13)29-18-6-1-12(20(24,25)26)8-17(18)27-10-11-7-14(22)9-16(23)19(11)28/h1-10,28H/b27-10+.
What are the key properties of 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 460.67 g/mol, XLogP of 7.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3382643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).