4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol

C15H13Br2NO2 — CID 135689605

IUPAC4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H13Br2NO2/c1-8-3-12(19)4-9(2)14(8)18-7-10-5-11(16)6-13(17)15(10)20/h3-7,19-20H,1-2H3/b18-7+
InChIKeyZFOFAEITQVFUJV-CNHKJKLMSA-N
MW399.08 g/mol
LogP4.99
Rot. Bonds2

About 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol

4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol (PubChem CID 135689605) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
PubChem CID135689605
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C15H13Br2NO2/c1-8-3-12(19)4-9(2)14(8)18-7-10-5-11(16)6-13(17)15(10)20/h3-7,19-20H,1-2H3/b18-7+
InChIKeyZFOFAEITQVFUJV-CNHKJKLMSA-N
XLogP4.99
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
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)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-[[3-(dimethylamino)-4-methylphenyl]iminomethyl]phenol
CID 1240034
2,6-dibromo-4-[(2,4,6-trimethylphenyl)iminomethyl]phenol
CID 2781419
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
CID 3465048
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol?
The IUPAC name of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol (CID 135689605) is 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol.
What is the SMILES notation for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol?
The canonical SMILES for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol is Cc1cc(O)cc(C)c1/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol?
The InChIKey is ZFOFAEITQVFUJV-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-8-3-12(19)4-9(2)14(8)18-7-10-5-11(16)6-13(17)15(10)20/h3-7,19-20H,1-2H3/b18-7+.
What are the key properties of 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol?
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol has a molecular weight of 399.08 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol is sourced from PubChem (CID 135689605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).