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

C16H14F3NO2 — CID 135657486

IUPAC2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C16H14F3NO2/c1-2-22-14-9-5-6-11(15(14)21)10-20-13-8-4-3-7-12(13)16(17,18)19/h3-10,21H,2H2,1H3/b20-10+
InChIKeyASNMTXLAHODBLR-KEBDBYFISA-N
MW309.29 g/mol
LogP4.56
Rot. Bonds4

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

2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 135657486) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID135657486
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O
InChIInChI=1S/C16H14F3NO2/c1-2-22-14-9-5-6-11(15(14)21)10-20-13-8-4-3-7-12(13)16(17,18)19/h3-10,21H,2H2,1H3/b20-10+
InChIKeyASNMTXLAHODBLR-KEBDBYFISA-N
XLogP4.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-ethoxy-6-(isoquinolin-5-yliminomethyl)phenol
CID 135760992
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 136676394
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-ethoxy-6-(5,6,7,8-tetrahydronaphthalen-1-yliminomethyl)phenol
CID 135657451
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 135657486) is 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol is CCOc1cccc(/C=N/c2ccccc2C(F)(F)F)c1O.
What is the InChIKey of 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is ASNMTXLAHODBLR-KEBDBYFISA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-2-22-14-9-5-6-11(15(14)21)10-20-13-8-4-3-7-12(13)16(17,18)19/h3-10,21H,2H2,1H3/b20-10+.
What are the key properties of 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 309.29 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135657486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).