4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

C15H11BrF3NO2 — CID 1377778

IUPAC4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C15H11BrF3NO2/c1-22-13-7-11(16)5-9(14(13)21)8-20-12-4-2-3-10(6-12)15(17,18)19/h2-8,21H,1H3/b20-8+
InChIKeyABXMVSRKEJYYIC-DNTJNYDQSA-N
MW374.16 g/mol
LogP4.93
Rot. Bonds3

About 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 1377778) has the molecular formula C15H11BrF3NO2 and a molecular weight of 374.16 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID1377778
Molecular FormulaC15H11BrF3NO2
Molecular Weight374.16 g/mol
Exact Mass372.99
IUPAC Name4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C15H11BrF3NO2/c1-22-13-7-11(16)5-9(14(13)21)8-20-12-4-2-3-10(6-12)15(17,18)19/h2-8,21H,1H3/b20-8+
InChIKeyABXMVSRKEJYYIC-DNTJNYDQSA-N
XLogP4.93
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]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

methyl 3-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 1480080
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
4-[(3-bromophenyl)diazenyl]-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3892840
N-[3-(trifluoromethyl)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 50885156
4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3467831
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 1377778) is 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is COc1cc(Br)cc(/C=N/c2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is ABXMVSRKEJYYIC-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H11BrF3NO2/c1-22-13-7-11(16)5-9(14(13)21)8-20-12-4-2-3-10(6-12)15(17,18)19/h2-8,21H,1H3/b20-8+.
What are the key properties of 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 374.16 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 1377778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).