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

C20H12Cl4N2O2 — CID 3279697

IUPAC2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C20H12Cl4N2O2/c21-13-5-11(19(27)17(23)7-13)9-25-15-1-2-16(4-3-15)26-10-12-6-14(22)8-18(24)20(12)28/h1-10,27-28H/b25-9+,26-10+
InChIKeyBMTSCNZGECYDAW-ZZULHHKVSA-N
MW454.14 g/mol
LogP7.21
Rot. Bonds4

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

2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (PubChem CID 3279697) has the molecular formula C20H12Cl4N2O2 and a molecular weight of 454.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
PubChem CID3279697
Molecular FormulaC20H12Cl4N2O2
Molecular Weight454.14 g/mol
Exact Mass451.97
IUPAC Name2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C20H12Cl4N2O2/c21-13-5-11(19(27)17(23)7-13)9-25-15-1-2-16(4-3-15)26-10-12-6-14(22)8-18(24)20(12)28/h1-10,27-28H/b25-9+,26-10+
InChIKeyBMTSCNZGECYDAW-ZZULHHKVSA-N
XLogP7.21
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.14
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873
5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 1409765
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
CID 2725439
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
CID 1272124
N-cyclohexyl-4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 1015011
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol (CID 3279697) is 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
The InChIKey is BMTSCNZGECYDAW-ZZULHHKVSA-N. The full InChI is InChI=1S/C20H12Cl4N2O2/c21-13-5-11(19(27)17(23)7-13)9-25-15-1-2-16(4-3-15)26-10-12-6-14(22)8-18(24)20(12)28/h1-10,27-28H/b25-9+,26-10+.
What are the key properties of 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol?
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol has a molecular weight of 454.14 g/mol, XLogP of 7.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol is sourced from PubChem (CID 3279697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).