2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol

C16H15Br2NO — CID 2781419

IUPAC2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol
SMILESCc1cc(C)c(/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1
InChIInChI=1S/C16H15Br2NO/c1-9-4-10(2)15(11(3)5-9)19-8-12-6-13(17)16(20)14(18)7-12/h4-8,20H,1-3H3/b19-8+
InChIKeyZVVPXFJLJMYWCZ-UFWORHAWSA-N
MW397.11 g/mol
LogP5.59
Rot. Bonds2

About 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol

2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol (PubChem CID 2781419) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol
PubChem CID2781419
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol
SMILESCc1cc(C)c(/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1
InChIInChI=1S/C16H15Br2NO/c1-9-4-10(2)15(11(3)5-9)19-8-12-6-13(17)16(20)14(18)7-12/h4-8,20H,1-3H3/b19-8+
InChIKeyZVVPXFJLJMYWCZ-UFWORHAWSA-N
XLogP5.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.59
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

2,6-dibromo-4-[(3,4-dimethylphenyl)iminomethyl]phenol
CID 137138656
5-bromo-4-chloro-2-[(2,4,6-trimethylphenyl)iminomethyl]-1H-indol-3-ol
CID 135949185
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
CID 45257812
2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
CID 154609906
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
CID 135676034
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3905059
1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol (CID 2781419) is 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol is Cc1cc(C)c(/N=C/c2cc(Br)c(O)c(Br)c2)c(C)c1.
What is the InChIKey of 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
The InChIKey is ZVVPXFJLJMYWCZ-UFWORHAWSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-9-4-10(2)15(11(3)5-9)19-8-12-6-13(17)16(20)14(18)7-12/h4-8,20H,1-3H3/b19-8+.
What are the key properties of 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol?
2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol has a molecular weight of 397.11 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 2781419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).