2-[(4-fluorophenyl)methylideneamino]-5-methylphenol

C14H12FNO — CID 11579513

IUPAC2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C14H12FNO/c1-10-2-7-13(14(17)8-10)16-9-11-3-5-12(15)6-4-11/h2-9,17H,1H3/b16-9+
InChIKeyGDGUTPIJPYRCFI-CXUHLZMHSA-N
MW229.25 g/mol
LogP3.59
Rot. Bonds2

About 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol

2-[(4-fluorophenyl)methylideneamino]-5-methylphenol (PubChem CID 11579513) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
PubChem CID11579513
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name2-[(4-fluorophenyl)methylideneamino]-5-methylphenol
SMILESCc1ccc(/N=C/c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C14H12FNO/c1-10-2-7-13(14(17)8-10)16-9-11-3-5-12(15)6-4-11/h2-9,17H,1H3/b16-9+
InChIKeyGDGUTPIJPYRCFI-CXUHLZMHSA-N
XLogP3.59
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(4-methylphenyl)methylideneamino]phenol
CID 30224082
4-[(2,4-dimethylphenyl)iminomethyl]phenol
CID 137138686
4-[(4-fluorophenyl)methylideneamino]-5-methyl-2-propan-2-ylphenol
CID 71520132
[4-[(2-hydroxy-4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 3680833
2-[(4-bromo-3-nitrophenyl)methylideneamino]-5-methylphenol
CID 691052
N-(2,4-difluorophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126245854
N-(2,5-dimethylphenyl)-1-[4-[(2,5-dimethylphenyl)iminomethyl]phenyl]methanimine
CID 134109201
(5-fluoro-2-hydroxyphenyl)-[(4-methylphenyl)methyl]azanide;tris(4-fluoro-2-[(4-methylphenyl)methylideneamino]phenol);zirconium
CID 153430226
N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
4-[(2,4-dimethylphenyl)iminomethyl]-2,6-dimethylphenol
CID 3905059
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol (CID 11579513) is 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol is Cc1ccc(/N=C/c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol?
The InChIKey is GDGUTPIJPYRCFI-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12FNO/c1-10-2-7-13(14(17)8-10)16-9-11-3-5-12(15)6-4-11/h2-9,17H,1H3/b16-9+.
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol?
2-[(4-fluorophenyl)methylideneamino]-5-methylphenol has a molecular weight of 229.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylideneamino]-5-methylphenol is sourced from PubChem (CID 11579513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).