4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol

C14H11Br2NO — CID 135657405

IUPAC4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
SMILESCc1cc(Br)ccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H11Br2NO/c1-9-6-11(15)2-4-13(9)17-8-10-7-12(16)3-5-14(10)18/h2-8,18H,1H3/b17-8+
InChIKeyFQNZIRXUFLFRBJ-CAOOACKPSA-N
MW369.06 g/mol
LogP4.98
Rot. Bonds2

About 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol

4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol (PubChem CID 135657405) has the molecular formula C14H11Br2NO and a molecular weight of 369.06 g/mol. Its IUPAC name is 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
PubChem CID135657405
Molecular FormulaC14H11Br2NO
Molecular Weight369.06 g/mol
Exact Mass366.92
IUPAC Name4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
SMILESCc1cc(Br)ccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H11Br2NO/c1-9-6-11(15)2-4-13(9)17-8-10-7-12(16)3-5-14(10)18/h2-8,18H,1H3/b17-8+
InChIKeyFQNZIRXUFLFRBJ-CAOOACKPSA-N
XLogP4.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.98
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

2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
2-[(4-iodo-2-methylphenyl)iminomethyl]phenol
CID 630747
4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 869448
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol (CID 135657405) is 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol is Cc1cc(Br)ccc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol?
The InChIKey is FQNZIRXUFLFRBJ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Br2NO/c1-9-6-11(15)2-4-13(9)17-8-10-7-12(16)3-5-14(10)18/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol?
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol has a molecular weight of 369.06 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135657405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).