4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol

C13H9BrFNO — CID 136614040

IUPAC4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H9BrFNO/c14-12-7-10(15)3-6-13(12)16-8-9-1-4-11(17)5-2-9/h1-8,17H/b16-8+
InChIKeyAJFIZFSOPGUXNB-LZYBPNLTSA-N
MW294.12 g/mol
LogP4.04
Rot. Bonds2

About 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol

4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol (PubChem CID 136614040) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol
PubChem CID136614040
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC Name4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccc(F)cc2Br)cc1
InChIInChI=1S/C13H9BrFNO/c14-12-7-10(15)3-6-13(12)16-8-9-1-4-11(17)5-2-9/h1-8,17H/b16-8+
InChIKeyAJFIZFSOPGUXNB-LZYBPNLTSA-N
XLogP4.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 54.04
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 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol (CID 136614040) is 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol is Oc1ccc(/C=N/c2ccc(F)cc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol?
The InChIKey is AJFIZFSOPGUXNB-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-12-7-10(15)3-6-13(12)16-8-9-1-4-11(17)5-2-9/h1-8,17H/b16-8+.
What are the key properties of 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol?
4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol has a molecular weight of 294.12 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)iminomethyl]phenol is sourced from PubChem (CID 136614040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).