4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol

C15H14BrNO3 — CID 759000

IUPAC4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2c(C)cccc2O)c1O
InChIInChI=1S/C15H14BrNO3/c1-9-4-3-5-12(18)14(9)17-8-10-6-11(16)7-13(20-2)15(10)19/h3-8,18-19H,1-2H3/b17-8+
InChIKeyRUWAIEBIOBUMBP-CAOOACKPSA-N
MW336.19 g/mol
LogP3.93
Rot. Bonds3

About 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol (PubChem CID 759000) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol
PubChem CID759000
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2c(C)cccc2O)c1O
InChIInChI=1S/C15H14BrNO3/c1-9-4-3-5-12(18)14(9)17-8-10-6-11(16)7-13(20-2)15(10)19/h3-8,18-19H,1-2H3/b17-8+
InChIKeyRUWAIEBIOBUMBP-CAOOACKPSA-N
XLogP3.93
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.93
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 4-bromo-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 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol (CID 759000) is 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2c(C)cccc2O)c1O.
What is the InChIKey of 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is RUWAIEBIOBUMBP-CAOOACKPSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9-4-3-5-12(18)14(9)17-8-10-6-11(16)7-13(20-2)15(10)19/h3-8,18-19H,1-2H3/b17-8+.
What are the key properties of 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 336.19 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxy-6-methylphenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 759000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).