2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol

C10H11Br2NO2 — CID 4850802

IUPAC2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol
SMILESCOCC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H11Br2NO2/c1-15-3-2-13-6-7-4-8(11)5-9(12)10(7)14/h4-6,14H,2-3H2,1H3/b13-6+
InChIKeyDSSBRDFOBXTNOR-AWNIVKPZSA-N
MW337.01 g/mol
LogP2.98
Rot. Bonds4

About 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol

2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol (PubChem CID 4850802) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol
PubChem CID4850802
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol
SMILESCOCC/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C10H11Br2NO2/c1-15-3-2-13-6-7-4-8(11)5-9(12)10(7)14/h4-6,14H,2-3H2,1H3/b13-6+
InChIKeyDSSBRDFOBXTNOR-AWNIVKPZSA-N
XLogP2.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol (CID 4850802) is 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol is COCC/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol?
The InChIKey is DSSBRDFOBXTNOR-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-15-3-2-13-6-7-4-8(11)5-9(12)10(7)14/h4-6,14H,2-3H2,1H3/b13-6+.
What are the key properties of 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol?
2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol has a molecular weight of 337.01 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2-methoxyethyliminomethyl)phenol is sourced from PubChem (CID 4850802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).