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

C13H8BrCl2NO — CID 780549

IUPAC4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-9-1-4-13(18)8(5-9)7-17-12-3-2-10(15)6-11(12)16/h1-7,18H/b17-7+
InChIKeyBMEZBEZNZSHTTB-REZTVBANSA-N
MW345.02 g/mol
LogP5.21
Rot. Bonds2

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

4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol (PubChem CID 780549) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
PubChem CID780549
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-9-1-4-13(18)8(5-9)7-17-12-3-2-10(15)6-11(12)16/h1-7,18H/b17-7+
InChIKeyBMEZBEZNZSHTTB-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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Related Compounds

4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]-6-iodophenol
CID 137173116
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
4-bromo-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135576325
4-bromo-2-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136705021
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
4-bromo-2-[(E)-(3-bromo-5-chloro-2-pyridinyl)iminomethyl]phenol
CID 135607351
4-chloro-2-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 135648337
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol (CID 780549) is 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol?
The InChIKey is BMEZBEZNZSHTTB-REZTVBANSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-1-4-13(18)8(5-9)7-17-12-3-2-10(15)6-11(12)16/h1-7,18H/b17-7+.
What are the key properties of 4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol?
4-bromo-2-[(2,4-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-[(2,4-dichlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 780549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).