2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol

C15H14BrNO3 — CID 155039384

IUPAC2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol
SMILESC/C(=N\c1cc(O)cc(Br)c1O)c1ccc(O)c(C)c1
InChIInChI=1S/C15H14BrNO3/c1-8-5-10(3-4-14(8)19)9(2)17-13-7-11(18)6-12(16)15(13)20/h3-7,18-20H,1-2H3/b17-9+
InChIKeyVIIJKNDYHGCAIY-RQZCQDPDSA-N
MW336.19 g/mol
LogP4.02
Rot. Bonds2

About 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol

2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol (PubChem CID 155039384) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol.

Molecular Properties

Compound Name2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol
PubChem CID155039384
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol
SMILESC/C(=N\c1cc(O)cc(Br)c1O)c1ccc(O)c(C)c1
InChIInChI=1S/C15H14BrNO3/c1-8-5-10(3-4-14(8)19)9(2)17-13-7-11(18)6-12(16)15(13)20/h3-7,18-20H,1-2H3/b17-9+
InChIKeyVIIJKNDYHGCAIY-RQZCQDPDSA-N
XLogP4.02
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol 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-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol?
The IUPAC name of 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol (CID 155039384) is 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol.
What is the SMILES notation for 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol?
The canonical SMILES for 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol is C/C(=N\c1cc(O)cc(Br)c1O)c1ccc(O)c(C)c1.
What is the InChIKey of 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol?
The InChIKey is VIIJKNDYHGCAIY-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-8-5-10(3-4-14(8)19)9(2)17-13-7-11(18)6-12(16)15(13)20/h3-7,18-20H,1-2H3/b17-9+.
What are the key properties of 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol?
2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol has a molecular weight of 336.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[1-(4-hydroxy-3-methylphenyl)ethylideneamino]benzene-1,4-diol is sourced from PubChem (CID 155039384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).