2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol

C14H12Br2N2O — CID 135458878

IUPAC2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1
InChIInChI=1S/C14H12Br2N2O/c1-18(12-5-3-2-4-6-12)17-9-10-7-11(15)8-13(16)14(10)19/h2-9,19H,1H3/b17-9+
InChIKeyZLGFQLPXUYLISW-RQZCQDPDSA-N
MW384.07 g/mol
LogP4.39
Rot. Bonds3

About 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol

2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol (PubChem CID 135458878) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
PubChem CID135458878
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1
InChIInChI=1S/C14H12Br2N2O/c1-18(12-5-3-2-4-6-12)17-9-10-7-11(15)8-13(16)14(10)19/h2-9,19H,1H3/b17-9+
InChIKeyZLGFQLPXUYLISW-RQZCQDPDSA-N
XLogP4.39
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol (CID 135458878) is 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol is CN(/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1.
What is the InChIKey of 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
The InChIKey is ZLGFQLPXUYLISW-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-18(12-5-3-2-4-6-12)17-9-10-7-11(15)8-13(16)14(10)19/h2-9,19H,1H3/b17-9+.
What are the key properties of 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol has a molecular weight of 384.07 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135458878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).