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

C28H20Cl4N2O2 — CID 139244260

IUPAC2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1CCc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C28H20Cl4N2O2/c29-21-11-19(27(35)23(31)13-21)15-33-25-7-3-1-5-17(25)9-10-18-6-2-4-8-26(18)34-16-20-12-22(30)14-24(32)28(20)36/h1-8,11-16,35-36H,9-10H2/b33-15+,34-16+
InChIKeyQGOMFLASPXIDQX-KXJQYHRCSA-N
MW558.29 g/mol
LogP9.00
Rot. Bonds7

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

2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol (PubChem CID 139244260) has the molecular formula C28H20Cl4N2O2 and a molecular weight of 558.29 g/mol. Its IUPAC name is 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
PubChem CID139244260
Molecular FormulaC28H20Cl4N2O2
Molecular Weight558.29 g/mol
Exact Mass556.03
IUPAC Name2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1CCc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C28H20Cl4N2O2/c29-21-11-19(27(35)23(31)13-21)15-33-25-7-3-1-5-17(25)9-10-18-6-2-4-8-26(18)34-16-20-12-22(30)14-24(32)28(20)36/h1-8,11-16,35-36H,9-10H2/b33-15+,34-16+
InChIKeyQGOMFLASPXIDQX-KXJQYHRCSA-N
XLogP9.00
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.29
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol (CID 139244260) is 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1CCc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
The InChIKey is QGOMFLASPXIDQX-KXJQYHRCSA-N. The full InChI is InChI=1S/C28H20Cl4N2O2/c29-21-11-19(27(35)23(31)13-21)15-33-25-7-3-1-5-17(25)9-10-18-6-2-4-8-26(18)34-16-20-12-22(30)14-24(32)28(20)36/h1-8,11-16,35-36H,9-10H2/b33-15+,34-16+.
What are the key properties of 2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
2,4-dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol has a molecular weight of 558.29 g/mol, XLogP of 9.00, 7 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-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 139244260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).