2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C28H22F3NO3 — CID 136676394

IUPAC2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2-c2ccccc2)c1O
InChIInChI=1S/C28H22F3NO3/c1-2-34-26-14-8-11-20(27(26)33)18-32-23-17-21(28(29,30)31)15-16-25(23)35-24-13-7-6-12-22(24)19-9-4-3-5-10-19/h3-18,33H,2H2,1H3/b32-18+
InChIKeyINGXFLSZAHUACF-KCSSXMTESA-N
MW477.48 g/mol
LogP8.02
Rot. Bonds7

About 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol

2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 136676394) has the molecular formula C28H22F3NO3 and a molecular weight of 477.48 g/mol. Its IUPAC name is 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID136676394
Molecular FormulaC28H22F3NO3
Molecular Weight477.48 g/mol
Exact Mass477.16
IUPAC Name2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2-c2ccccc2)c1O
InChIInChI=1S/C28H22F3NO3/c1-2-34-26-14-8-11-20(27(26)33)18-32-23-17-21(28(29,30)31)15-16-25(23)35-24-13-7-6-12-22(24)19-9-4-3-5-10-19/h3-18,33H,2H2,1H3/b32-18+
InChIKeyINGXFLSZAHUACF-KCSSXMTESA-N
XLogP8.02
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.48
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)phenoxy]benzoate
CID 136916347
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172088
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[(2,4-difluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135595380
2-ethoxy-6-[(2-iodophenyl)iminomethyl]phenol
CID 135595102
2-[(2-chloro-5-fluorophenyl)iminomethyl]-6-ethoxyphenol
CID 135657485
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
2-(2-ethoxyphenoxy)-5-(trifluoromethyl)benzaldehyde
CID 155416967

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 136676394) is 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol is CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2-c2ccccc2)c1O.
What is the InChIKey of 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is INGXFLSZAHUACF-KCSSXMTESA-N. The full InChI is InChI=1S/C28H22F3NO3/c1-2-34-26-14-8-11-20(27(26)33)18-32-23-17-21(28(29,30)31)15-16-25(23)35-24-13-7-6-12-22(24)19-9-4-3-5-10-19/h3-18,33H,2H2,1H3/b32-18+.
What are the key properties of 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 477.48 g/mol, XLogP of 8.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[2-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 136676394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).