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

C13H8BrCl2NO — CID 710129

IUPAC4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-9-4-5-12(18)8(6-9)7-17-11-3-1-2-10(15)13(11)16/h1-7,18H/b17-7+
InChIKeyPMHJKTGIWGSOBS-REZTVBANSA-N
MW345.02 g/mol
LogP5.21
Rot. Bonds2

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

4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol (PubChem CID 710129) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
PubChem CID710129
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-9-4-5-12(18)8(6-9)7-17-11-3-1-2-10(15)13(11)16/h1-7,18H/b17-7+
InChIKeyPMHJKTGIWGSOBS-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]phenol
CID 780549
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione
CID 136880936
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine
CID 126015515
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol (CID 710129) is 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1cccc(Cl)c1Cl.
What is the InChIKey of 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol?
The InChIKey is PMHJKTGIWGSOBS-REZTVBANSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-9-4-5-12(18)8(6-9)7-17-11-3-1-2-10(15)13(11)16/h1-7,18H/b17-7+.
What are the key properties of 4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol?
4-bromo-2-[(2,3-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-[(2,3-dichlorophenyl)iminomethyl]phenol is sourced from PubChem (CID 710129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).