2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C21H16F3NO2 — CID 137172088

IUPAC2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-10-11-20(27-14-15-6-2-1-3-7-15)18(12-17)25-13-16-8-4-5-9-19(16)26/h1-13,26H,14H2/b25-13+
InChIKeyZXZAGCAVIMWERW-DHRITJCHSA-N
MW371.36 g/mol
LogP5.74
Rot. Bonds5

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

2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 137172088) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID137172088
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)17-10-11-20(27-14-15-6-2-1-3-7-15)18(12-17)25-13-16-8-4-5-9-19(16)26/h1-13,26H,14H2/b25-13+
InChIKeyZXZAGCAVIMWERW-DHRITJCHSA-N
XLogP5.74
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.74
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-(2-phenylphenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 136676394
2-[[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenol
CID 3742462
N-naphthalen-1-yl-1-(2-phenylmethoxyphenyl)methanimine
CID 4644937
2-(azidomethyl)-1-phenylmethoxy-4-(trifluoromethyl)benzene
CID 22661941
2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137068909
(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine
CID 23035301
ethyl 2-[2-[(3-chloro-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)phenoxy]benzoate
CID 136916347
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
2-[[2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]phenoxy]ethoxy]ethoxy]phenyl]iminomethyl]phenol
CID 136857641
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 161167132
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 162650883

Frequently Asked Questions

What is the IUPAC name of 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 137172088) is 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is ZXZAGCAVIMWERW-DHRITJCHSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)17-10-11-20(27-14-15-6-2-1-3-7-15)18(12-17)25-13-16-8-4-5-9-19(16)26/h1-13,26H,14H2/b25-13+.
What are the key properties of 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 371.36 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137172088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).