2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol

C11H14Br2N2O — CID 135676034

IUPAC2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H14Br2N2O/c1-11(2,3)15-14-6-7-4-8(12)10(16)9(13)5-7/h4-6,15-16H,1-3H3/b14-6+
InChIKeyIEIZTDZZCSMIJY-MKMNVTDBSA-N
MW350.05 g/mol
LogP3.64
Rot. Bonds2

About 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol

2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol (PubChem CID 135676034) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
PubChem CID135676034
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H14Br2N2O/c1-11(2,3)15-14-6-7-4-8(12)10(16)9(13)5-7/h4-6,15-16H,1-3H3/b14-6+
InChIKeyIEIZTDZZCSMIJY-MKMNVTDBSA-N
XLogP3.64
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-[(E)-(methylhydrazinylidene)methyl]phenol
CID 136732876
2,6-dibromo-4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136803392
1-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135625883
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2350489
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168024
4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 2454893
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788590
2,6-dibromo-4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135736398
2,6-dibromo-4-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 136886804
2,6-dibromo-4-[(E)-(1,3-thiazol-2-ylhydrazinylidene)methyl]phenol
CID 135878036
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135548670

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol (CID 135676034) is 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol is CC(C)(C)N/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol?
The InChIKey is IEIZTDZZCSMIJY-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-11(2,3)15-14-6-7-4-8(12)10(16)9(13)5-7/h4-6,15-16H,1-3H3/b14-6+.
What are the key properties of 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol?
2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol has a molecular weight of 350.05 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-(tert-butylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135676034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).