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

C15H13Br2NO — CID 1286588

IUPAC2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(C)c1
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChIKeyOPSKZOBVXVQYAI-QGMBQPNBSA-N
MW383.08 g/mol
LogP5.28
Rot. Bonds2

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

2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol (PubChem CID 1286588) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol
PubChem CID1286588
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol
SMILESCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(C)c1
InChIInChI=1S/C15H13Br2NO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+
InChIKeyOPSKZOBVXVQYAI-QGMBQPNBSA-N
XLogP5.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.08
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol (CID 1286588) is 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol is Cc1ccc(/N=C/c2cc(Br)cc(Br)c2O)c(C)c1.
What is the InChIKey of 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol?
The InChIKey is OPSKZOBVXVQYAI-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-8,19H,1-2H3/b18-8+.
What are the key properties of 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol?
2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol has a molecular weight of 383.08 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2,4-dimethylphenyl)iminomethyl]phenol is sourced from PubChem (CID 1286588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).