2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol

C13H7Cl4NO — CID 156787542

IUPAC2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-8-5-9(12(16)13(17)11(8)15)18-6-7-3-1-2-4-10(7)19/h1-6,19H/b18-6+
InChIKeyGYBBGDCRTUXXQQ-NGYBGAFCSA-N
MW335.02 g/mol
LogP5.76
Rot. Bonds2

About 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol

2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol (PubChem CID 156787542) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol
PubChem CID156787542
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-8-5-9(12(16)13(17)11(8)15)18-6-7-3-1-2-4-10(7)19/h1-6,19H/b18-6+
InChIKeyGYBBGDCRTUXXQQ-NGYBGAFCSA-N
XLogP5.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[(2-hydroxyphenyl)methylideneamino]-5-methylphenol
CID 135689629
2-[[2,3-dichloro-4-[[2,3-dichloro-4-[(2-hydroxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]phenol
CID 136863833
2-[(2-chloro-4-fluorophenyl)iminomethyl]phenol
CID 135595437
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol?
The IUPAC name of 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol (CID 156787542) is 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol?
The InChIKey is GYBBGDCRTUXXQQ-NGYBGAFCSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-8-5-9(12(16)13(17)11(8)15)18-6-7-3-1-2-4-10(7)19/h1-6,19H/b18-6+.
What are the key properties of 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol?
2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol has a molecular weight of 335.02 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5-tetrachlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 156787542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).