2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol

C13H9Br2NO2 — CID 135452125

IUPAC2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol
SMILESOc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C13H9Br2NO2/c14-9-5-8(13(18)12(15)6-9)7-16-10-1-3-11(17)4-2-10/h1-7,17-18H/b16-7+
InChIKeyLXVYHLJBTVCHQI-FRKPEAEDSA-N
MW371.03 g/mol
LogP4.37
Rot. Bonds2

About 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol

2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol (PubChem CID 135452125) has the molecular formula C13H9Br2NO2 and a molecular weight of 371.03 g/mol. Its IUPAC name is 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol
PubChem CID135452125
Molecular FormulaC13H9Br2NO2
Molecular Weight371.03 g/mol
Exact Mass368.90
IUPAC Name2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol
SMILESOc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
InChIInChI=1S/C13H9Br2NO2/c14-9-5-8(13(18)12(15)6-9)7-16-10-1-3-11(17)4-2-10/h1-7,17-18H/b16-7+
InChIKeyLXVYHLJBTVCHQI-FRKPEAEDSA-N
XLogP4.37
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol 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 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol (CID 135452125) is 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol is Oc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1.
What is the InChIKey of 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is LXVYHLJBTVCHQI-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9Br2NO2/c14-9-5-8(13(18)12(15)6-9)7-16-10-1-3-11(17)4-2-10/h1-7,17-18H/b16-7+.
What are the key properties of 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol?
2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 371.03 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(4-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 135452125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).