3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol

C15H13Br2NO3 — CID 4588792

IUPAC3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)c(Br)c(/C=N/c2c(C)cccc2O)c1O
InChIInChI=1S/C15H13Br2NO3/c1-8-4-3-5-11(19)14(8)18-7-9-13(17)10(16)6-12(21-2)15(9)20/h3-7,19-20H,1-2H3/b18-7+
InChIKeyVVGIQLSQXPTDEL-CNHKJKLMSA-N
MW415.08 g/mol
LogP4.69
Rot. Bonds3

About 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol

3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 4588792) has the molecular formula C15H13Br2NO3 and a molecular weight of 415.08 g/mol. Its IUPAC name is 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID4588792
Molecular FormulaC15H13Br2NO3
Molecular Weight415.08 g/mol
Exact Mass412.93
IUPAC Name3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)c(Br)c(/C=N/c2c(C)cccc2O)c1O
InChIInChI=1S/C15H13Br2NO3/c1-8-4-3-5-11(19)14(8)18-7-9-13(17)10(16)6-12(21-2)15(9)20/h3-7,19-20H,1-2H3/b18-7+
InChIKeyVVGIQLSQXPTDEL-CNHKJKLMSA-N
XLogP4.69
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol (CID 4588792) is 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)c(Br)c(/C=N/c2c(C)cccc2O)c1O.
What is the InChIKey of 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is VVGIQLSQXPTDEL-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H13Br2NO3/c1-8-4-3-5-11(19)14(8)18-7-9-13(17)10(16)6-12(21-2)15(9)20/h3-7,19-20H,1-2H3/b18-7+.
What are the key properties of 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 415.08 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 4588792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).