4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol

C14H11Br2NO2 — CID 1377793

IUPAC4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2cccc(Br)c2)c1O
InChIInChI=1S/C14H11Br2NO2/c1-19-13-7-11(16)5-9(14(13)18)8-17-12-4-2-3-10(15)6-12/h2-8,18H,1H3/b17-8+
InChIKeyUWHSOOGAZTZURL-CAOOACKPSA-N
MW385.06 g/mol
LogP4.68
Rot. Bonds3

About 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol

4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol (PubChem CID 1377793) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol
PubChem CID1377793
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2cccc(Br)c2)c1O
InChIInChI=1S/C14H11Br2NO2/c1-19-13-7-11(16)5-9(14(13)18)8-17-12-4-2-3-10(15)6-12/h2-8,18H,1H3/b17-8+
InChIKeyUWHSOOGAZTZURL-CAOOACKPSA-N
XLogP4.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(3-bromophenyl)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-[(3-bromophenyl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol (CID 1377793) is 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2cccc(Br)c2)c1O.
What is the InChIKey of 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol?
The InChIKey is UWHSOOGAZTZURL-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c1-19-13-7-11(16)5-9(14(13)18)8-17-12-4-2-3-10(15)6-12/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol?
4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol has a molecular weight of 385.06 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-bromophenyl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 1377793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).