4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol

C14H11BrFNO — CID 135657407

IUPAC4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
SMILESCc1cc(/N=C/c2cc(Br)ccc2O)ccc1F
InChIInChI=1S/C14H11BrFNO/c1-9-6-12(3-4-13(9)16)17-8-10-7-11(15)2-5-14(10)18/h2-8,18H,1H3/b17-8+
InChIKeyLFHDESVHRJJVIC-CAOOACKPSA-N
MW308.15 g/mol
LogP4.35
Rot. Bonds2

About 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol

4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol (PubChem CID 135657407) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
PubChem CID135657407
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
SMILESCc1cc(/N=C/c2cc(Br)ccc2O)ccc1F
InChIInChI=1S/C14H11BrFNO/c1-9-6-12(3-4-13(9)16)17-8-10-7-11(15)2-5-14(10)18/h2-8,18H,1H3/b17-8+
InChIKeyLFHDESVHRJJVIC-CAOOACKPSA-N
XLogP4.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-[(4-fluoro-3-methylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3535730
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol
CID 171980806
4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 4250391
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
CID 135657383
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
CID 913370

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol (CID 135657407) is 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol is Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1F.
What is the InChIKey of 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol?
The InChIKey is LFHDESVHRJJVIC-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-6-12(3-4-13(9)16)17-8-10-7-11(15)2-5-14(10)18/h2-8,18H,1H3/b17-8+.
What are the key properties of 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol?
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol has a molecular weight of 308.15 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135657407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).