5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

C16H14F3NO2 — CID 765372

IUPAC5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2cccc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C16H14F3NO2/c1-2-22-14-7-6-11(15(21)9-14)10-20-13-5-3-4-12(8-13)16(17,18)19/h3-10,21H,2H2,1H3/b20-10+
InChIKeyIKQZMYPGICDCQZ-KEBDBYFISA-N
MW309.29 g/mol
LogP4.56
Rot. Bonds4

About 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol

5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 765372) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID765372
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1ccc(/C=N/c2cccc(C(F)(F)F)c2)c(O)c1
InChIInChI=1S/C16H14F3NO2/c1-2-22-14-7-6-11(15(21)9-14)10-20-13-5-3-4-12(8-13)16(17,18)19/h3-10,21H,2H2,1H3/b20-10+
InChIKeyIKQZMYPGICDCQZ-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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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 765372) is 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is CCOc1ccc(/C=N/c2cccc(C(F)(F)F)c2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is IKQZMYPGICDCQZ-KEBDBYFISA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-2-22-14-7-6-11(15(21)9-14)10-20-13-5-3-4-12(8-13)16(17,18)19/h3-10,21H,2H2,1H3/b20-10+.
What are the key properties of 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol?
5-ethoxy-2-[[3-(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 5-ethoxy-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 765372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).