2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol

C21H16Cl4N2O2 — CID 136961998

IUPAC2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol
SMILESCN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C21H16Cl4N2O2/c1-27(11-13-7-15(23)9-17(25)21(13)29)19-5-3-2-4-18(19)26-10-12-6-14(22)8-16(24)20(12)28/h2-10,28-29H,11H2,1H3/b26-10+
InChIKeyJFJDXCGATBCEPQ-NSKAYECMSA-N
MW470.18 g/mol
LogP7.10
Rot. Bonds5

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

2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol (PubChem CID 136961998) has the molecular formula C21H16Cl4N2O2 and a molecular weight of 470.18 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol
PubChem CID136961998
Molecular FormulaC21H16Cl4N2O2
Molecular Weight470.18 g/mol
Exact Mass468.00
IUPAC Name2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol
SMILESCN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C21H16Cl4N2O2/c1-27(11-13-7-15(23)9-17(25)21(13)29)19-5-3-2-4-18(19)26-10-12-6-14(22)8-16(24)20(12)28/h2-10,28-29H,11H2,1H3/b26-10+
InChIKeyJFJDXCGATBCEPQ-NSKAYECMSA-N
XLogP7.10
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.18
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'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-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol (CID 136961998) is 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol is CN(Cc1cc(Cl)cc(Cl)c1O)c1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol?
The InChIKey is JFJDXCGATBCEPQ-NSKAYECMSA-N. The full InChI is InChI=1S/C21H16Cl4N2O2/c1-27(11-13-7-15(23)9-17(25)21(13)29)19-5-3-2-4-18(19)26-10-12-6-14(22)8-16(24)20(12)28/h2-10,28-29H,11H2,1H3/b26-10+.
What are the key properties of 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol?
2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol has a molecular weight of 470.18 g/mol, XLogP of 7.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-methylanilino]methyl]phenol is sourced from PubChem (CID 136961998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).