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

C15H13Br2NO — CID 135501673

IUPAC2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
SMILESCc1cccc(C)c1/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H13Br2NO/c1-9-4-3-5-10(2)14(9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChIKeyZRQAVVCKEDWVTF-QGMBQPNBSA-N
MW383.08 g/mol
LogP5.28
Rot. Bonds2

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

2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol (PubChem CID 135501673) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
PubChem CID135501673
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
SMILESCc1cccc(C)c1/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H13Br2NO/c1-9-4-3-5-10(2)14(9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChIKeyZRQAVVCKEDWVTF-QGMBQPNBSA-N
XLogP5.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.28
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-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol
CID 1240034
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
CID 137088814
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
CID 136704721
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol (CID 135501673) is 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol is Cc1cccc(C)c1/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol?
The InChIKey is ZRQAVVCKEDWVTF-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-4-3-5-10(2)14(9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol?
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol has a molecular weight of 383.08 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135501673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).