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

C27H18Cl4N2O2 — CID 136863833

IUPAC2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3O)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C27H18Cl4N2O2/c28-24-16(9-11-20(26(24)30)32-14-18-5-1-3-7-22(18)34)13-17-10-12-21(27(31)25(17)29)33-15-19-6-2-4-8-23(19)35/h1-12,14-15,34-35H,13H2/b32-14+,33-15+
InChIKeyMGCKAMSEHLCZLL-KBVBXEEASA-N
MW544.27 g/mol
LogP8.80
Rot. Bonds6

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

2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol (PubChem CID 136863833) has the molecular formula C27H18Cl4N2O2 and a molecular weight of 544.27 g/mol. Its IUPAC name is 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
PubChem CID136863833
Molecular FormulaC27H18Cl4N2O2
Molecular Weight544.27 g/mol
Exact Mass542.01
IUPAC Name2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3O)c(Cl)c2Cl)c(Cl)c1Cl
InChIInChI=1S/C27H18Cl4N2O2/c28-24-16(9-11-20(26(24)30)32-14-18-5-1-3-7-22(18)34)13-17-10-12-21(27(31)25(17)29)33-15-19-6-2-4-8-23(19)35/h1-12,14-15,34-35H,13H2/b32-14+,33-15+
InChIKeyMGCKAMSEHLCZLL-KBVBXEEASA-N
XLogP8.80
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.27
LogP ≤ 58.80
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

Bis(4-chloro-2-((phenylimino)methyl)phenolate)-oxovanadium(IV) (3)
CID 136351659
Alpha-(2,3-dichlorophenylimino)-ortho-cresol
CID 292411
2-((E)-{[4-(4-{[(E)-(2-hydroxyphenyl)methylidene]amino}benzyl)phenyl]imino}methyl)phenol
CID 288550
2-[[4-[2-[4-[(2-Hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
4-chloro-2-{(E)-[(2,3-dichlorophenyl)imino]methyl}phenol
CID 622062
4-chloro-2-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-phenylcarbonimidoyl]phenol
CID 136825167
(E)-2-[(2,4-Dichlorophenyl)iminomethyl]-6-methylphenol
CID 139076406
2,4-Dichloro-6-[[2-[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 139244260
Bis(4-chloro-2-[(4-methylphenyl)iminomethyl]phenol);cobalt
CID 428959
2-[(E)-[(4-Chlorophenyl)imino]methyl]-4-({3-[(E)-[(4-chlorophenyl)imino]methyl]-4-hydroxyphenyl}methyl)phenol
CID 4069698
N,N'-Di(2-hydroxy-5-chlorobenzylidene)-4,5-dichloro-1,2-diaminobenzene
CID 136203559
2-[[4,5-Dichloro-2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136859600

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol (CID 136863833) is 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3O)c(Cl)c2Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
The InChIKey is MGCKAMSEHLCZLL-KBVBXEEASA-N. The full InChI is InChI=1S/C27H18Cl4N2O2/c28-24-16(9-11-20(26(24)30)32-14-18-5-1-3-7-22(18)34)13-17-10-12-21(27(31)25(17)29)33-15-19-6-2-4-8-23(19)35/h1-12,14-15,34-35H,13H2/b32-14+,33-15+.
What are the key properties of 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol?
2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol has a molecular weight of 544.27 g/mol, XLogP of 8.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 136863833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).