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

C15H13BrFNO — CID 135758638

IUPAC4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/CCc1ccccc1F
InChIInChI=1S/C15H13BrFNO/c16-13-5-6-15(19)12(9-13)10-18-8-7-11-3-1-2-4-14(11)17/h1-6,9-10,19H,7-8H2/b18-10+
InChIKeyKRFMYYJFMBIYHL-VCHYOVAHSA-N
MW322.18 g/mol
LogP3.96
Rot. Bonds4

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

4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol (PubChem CID 135758638) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
PubChem CID135758638
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/CCc1ccccc1F
InChIInChI=1S/C15H13BrFNO/c16-13-5-6-15(19)12(9-13)10-18-8-7-11-3-1-2-4-14(11)17/h1-6,9-10,19H,7-8H2/b18-10+
InChIKeyKRFMYYJFMBIYHL-VCHYOVAHSA-N
XLogP3.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919
2-[(2-aminophenyl)methyliminomethyl]-4-bromophenol
CID 139195391
4-bromo-2-[(2,4-difluorophenyl)methyliminomethyl]phenol
CID 135657334
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
4-bromo-2-[[2-[3-[2-[[(5-bromo-2-hydroxyphenyl)methylideneamino]methyl]phenoxy]-2-hydroxypropoxy]phenyl]methyliminomethyl]phenol
CID 139205120
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 135679783
4-bromo-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135734228
4-bromo-2-(furan-2-ylmethyliminomethyl)phenol
CID 871214
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703873
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol?
The IUPAC name of 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol (CID 135758638) is 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol is Oc1ccc(Br)cc1/C=N/CCc1ccccc1F.
What is the InChIKey of 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol?
The InChIKey is KRFMYYJFMBIYHL-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-13-5-6-15(19)12(9-13)10-18-8-7-11-3-1-2-4-14(11)17/h1-6,9-10,19H,7-8H2/b18-10+.
What are the key properties of 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol?
4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol has a molecular weight of 322.18 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(2-fluorophenyl)ethyliminomethyl]phenol is sourced from PubChem (CID 135758638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).