2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol

C15H14Br2N2O — CID 136704721

IUPAC2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
SMILESCc1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1C
InChIInChI=1S/C15H14Br2N2O/c1-9-3-4-13(5-10(9)2)19-18-8-11-6-12(16)7-14(17)15(11)20/h3-8,19-20H,1-2H3
InChIKeyMCWBLDUXCJYKLP-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.98
Rot. Bonds3

About 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol

2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 136704721) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
PubChem CID136704721
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol
SMILESCc1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1C
InChIInChI=1S/C15H14Br2N2O/c1-9-3-4-13(5-10(9)2)19-18-8-11-6-12(16)7-14(17)15(11)20/h3-8,19-20H,1-2H3
InChIKeyMCWBLDUXCJYKLP-UHFFFAOYSA-N
XLogP4.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.98
H-Bond Donors ≤ 52
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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Related Compounds

2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504942
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789144
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135684320
2,4-dibromo-6-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135717168
4-bromo-2-[(E)-[(3-bromophenyl)hydrazinylidene]methyl]-6-iodophenol
CID 135533846
2,4-dibromo-6-[(methylhydrazinylidene)methyl]phenol;phosphoric acid
CID 136577523
N-[(E)-(2-fluorophenyl)methylideneamino]-3,4-dimethylaniline
CID 110504963
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol (CID 136704721) is 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol is Cc1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1C.
What is the InChIKey of 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is MCWBLDUXCJYKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-9-3-4-13(5-10(9)2)19-18-8-11-6-12(16)7-14(17)15(11)20/h3-8,19-20H,1-2H3.
What are the key properties of 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol?
2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 398.10 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136704721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).