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

C13H8BrCl2NO — CID 710164

IUPAC4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8BrCl2NO/c14-9-1-2-13(18)8(3-9)7-17-12-5-10(15)4-11(16)6-12/h1-7,18H/b17-7+
InChIKeyUHGJKERLQDVILY-REZTVBANSA-N
MW345.02 g/mol
LogP5.21
Rot. Bonds2

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

4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol (PubChem CID 710164) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol
PubChem CID710164
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8BrCl2NO/c14-9-1-2-13(18)8(3-9)7-17-12-5-10(15)4-11(16)6-12/h1-7,18H/b17-7+
InChIKeyUHGJKERLQDVILY-REZTVBANSA-N
XLogP5.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.02
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol (CID 710164) is 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol?
The InChIKey is UHGJKERLQDVILY-REZTVBANSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-1-2-13(18)8(3-9)7-17-12-5-10(15)4-11(16)6-12/h1-7,18H/b17-7+.
What are the key properties of 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol?
4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol has a molecular weight of 345.02 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3,5-dichlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 710164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).