2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol

C15H12F3NO — CID 135611707

IUPAC2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C15H12F3NO/c1-10-5-4-6-11(14(10)20)9-19-13-8-3-2-7-12(13)15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyRDXUUFPBLFSWAR-DJKKODMXSA-N
MW279.26 g/mol
LogP4.47
Rot. Bonds2

About 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol

2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 135611707) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID135611707
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C15H12F3NO/c1-10-5-4-6-11(14(10)20)9-19-13-8-3-2-7-12(13)15(16,17)18/h2-9,20H,1H3/b19-9+
InChIKeyRDXUUFPBLFSWAR-DJKKODMXSA-N
XLogP4.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.47
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

N-salicylidene-o-aminophenol
CID 74479
Salicylideneaniline
CID 136621
4-Benzylideneaminophenol
CID 11501
Alpha-(4-hydroxyphenylimino)-O-cresol
CID 219803
Alpha-(4-cyanophenylimino)-O-cresol
CID 273755
Mls002920165
CID 280649
4-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 611166
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
4-[[(4-Fluorophenyl)imino]methyl]phenol
CID 720254
(6E)-6-[(2,4-dimethylanilino)methylidene]-2-hydroxycyclohexa-2,4-dien-1-one
CID 802842
2-(Benzylideneamino)phenol
CID 219809
(E)-2-((p-tolylimino)methyl)phenol
CID 264356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 135611707) is 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol is Cc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O.
What is the InChIKey of 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is RDXUUFPBLFSWAR-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-10-5-4-6-11(14(10)20)9-19-13-8-3-2-7-12(13)15(16,17)18/h2-9,20H,1H3/b19-9+.
What are the key properties of 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 279.26 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135611707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).