2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol

C20H20Cl4N2O2 — CID 3884626

IUPAC2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/CCCCCC/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H20Cl4N2O2/c21-15-7-13(19(27)17(23)9-15)11-25-5-3-1-2-4-6-26-12-14-8-16(22)10-18(24)20(14)28/h7-12,27-28H,1-6H2/b25-11+,26-12+
InChIKeyZWHZEOCBJHTNNO-KOZSXFMUSA-N
MW462.20 g/mol
LogP6.81
Rot. Bonds9

About 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol

2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol (PubChem CID 3884626) has the molecular formula C20H20Cl4N2O2 and a molecular weight of 462.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
PubChem CID3884626
Molecular FormulaC20H20Cl4N2O2
Molecular Weight462.20 g/mol
Exact Mass460.03
IUPAC Name2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/CCCCCC/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H20Cl4N2O2/c21-15-7-13(19(27)17(23)9-15)11-25-5-3-1-2-4-6-26-12-14-8-16(22)10-18(24)20(14)28/h7-12,27-28H,1-6H2/b25-11+,26-12+
InChIKeyZWHZEOCBJHTNNO-KOZSXFMUSA-N
XLogP6.81
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.20
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]-1,2-dihydropyrazol-3-one
CID 135817128
1-[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]propyl]pyrrolidin-2-one
CID 135595142
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
2,4-dichloro-6-[2-(4-methoxyphenoxy)ethyliminomethyl]phenol
CID 135855323
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(4-methoxyphenyl)methyliminomethyl]phenol
CID 2806894
2,4-ditert-butyl-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]ethyl-methylamino]methyl]phenol
CID 137124059
2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139201615
2,4-dichloro-6-[[(1R,2S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 2265555
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
methyl 2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]ethylamino]cyclopentene-1-carbodithioate
CID 136801608

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol (CID 3884626) is 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/CCCCCC/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol?
The InChIKey is ZWHZEOCBJHTNNO-KOZSXFMUSA-N. The full InChI is InChI=1S/C20H20Cl4N2O2/c21-15-7-13(19(27)17(23)9-15)11-25-5-3-1-2-4-6-26-12-14-8-16(22)10-18(24)20(14)28/h7-12,27-28H,1-6H2/b25-11+,26-12+.
What are the key properties of 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol?
2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol has a molecular weight of 462.20 g/mol, XLogP of 6.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol is sourced from PubChem (CID 3884626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).