2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol

C13H9Br2NO2 — CID 135494554

IUPAC2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol
SMILESOc1c(Br)cc(/C=N/Oc2ccccc2)cc1Br
InChIInChI=1S/C13H9Br2NO2/c14-11-6-9(7-12(15)13(11)17)8-16-18-10-4-2-1-3-5-10/h1-8,17H/b16-8+
InChIKeyKLRJYPITBNMQJQ-LZYBPNLTSA-N
MW371.03 g/mol
LogP4.33
Rot. Bonds3

About 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol

2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol (PubChem CID 135494554) has the molecular formula C13H9Br2NO2 and a molecular weight of 371.03 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol
PubChem CID135494554
Molecular FormulaC13H9Br2NO2
Molecular Weight371.03 g/mol
Exact Mass368.90
IUPAC Name2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol
SMILESOc1c(Br)cc(/C=N/Oc2ccccc2)cc1Br
InChIInChI=1S/C13H9Br2NO2/c14-11-6-9(7-12(15)13(11)17)8-16-18-10-4-2-1-3-5-10/h1-8,17H/b16-8+
InChIKeyKLRJYPITBNMQJQ-LZYBPNLTSA-N
XLogP4.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol (CID 135494554) is 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol is Oc1c(Br)cc(/C=N/Oc2ccccc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol?
The InChIKey is KLRJYPITBNMQJQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9Br2NO2/c14-11-6-9(7-12(15)13(11)17)8-16-18-10-4-2-1-3-5-10/h1-8,17H/b16-8+.
What are the key properties of 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol?
2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol has a molecular weight of 371.03 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-phenoxyiminomethyl]phenol is sourced from PubChem (CID 135494554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).