4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol

C16H14Br2N2O4 — CID 135454927

IUPAC4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/OCCO/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H14Br2N2O4/c17-13-1-3-15(21)11(7-13)9-19-23-5-6-24-20-10-12-8-14(18)2-4-16(12)22/h1-4,7-10,21-22H,5-6H2/b19-9+,20-10+
InChIKeyMMPFMWURPUYDSV-LQGKIZFRSA-N
MW458.11 g/mol
LogP4.02
Rot. Bonds7

About 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol

4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol (PubChem CID 135454927) has the molecular formula C16H14Br2N2O4 and a molecular weight of 458.11 g/mol. Its IUPAC name is 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
PubChem CID135454927
Molecular FormulaC16H14Br2N2O4
Molecular Weight458.11 g/mol
Exact Mass455.93
IUPAC Name4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/OCCO/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C16H14Br2N2O4/c17-13-1-3-15(21)11(7-13)9-19-23-5-6-24-20-10-12-8-14(18)2-4-16(12)22/h1-4,7-10,21-22H,5-6H2/b19-9+,20-10+
InChIKeyMMPFMWURPUYDSV-LQGKIZFRSA-N
XLogP4.02
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.11
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]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 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol (CID 135454927) is 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol is Oc1ccc(Br)cc1/C=N/OCCO/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
The InChIKey is MMPFMWURPUYDSV-LQGKIZFRSA-N. The full InChI is InChI=1S/C16H14Br2N2O4/c17-13-1-3-15(21)11(7-13)9-19-23-5-6-24-20-10-12-8-14(18)2-4-16(12)22/h1-4,7-10,21-22H,5-6H2/b19-9+,20-10+.
What are the key properties of 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol?
4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol has a molecular weight of 458.11 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-2-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol is sourced from PubChem (CID 135454927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).