4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol

C15H12F3NO2 — CID 135580355

IUPAC4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
SMILESOc1ccc(/C=N/OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)13-5-1-12(2-6-13)10-21-19-9-11-3-7-14(20)8-4-11/h1-9,20H,10H2/b19-9+
InChIKeyCRYDUZSLNLXVRH-DJKKODMXSA-N
MW295.26 g/mol
LogP3.96
Rot. Bonds4

About 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol

4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol (PubChem CID 135580355) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
PubChem CID135580355
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
SMILESOc1ccc(/C=N/OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)13-5-1-12(2-6-13)10-21-19-9-11-3-7-14(20)8-4-11/h1-9,20H,10H2/b19-9+
InChIKeyCRYDUZSLNLXVRH-DJKKODMXSA-N
XLogP3.96
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
1-thiophen-2-yl-2-[4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenoxy]ethanone
CID 86293746
1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 76854403
2-[4-[[(Z)-(4-tert-butylphenyl)methylideneamino]oxymethyl]phenyl]acetic acid
CID 129382360
4-[(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenol
CID 136663915
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-[(E)-4-[(E)-(4-hydroxyphenyl)methylideneamino]oxybutoxyiminomethyl]phenol
CID 139207565
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 74057330
(E)-1-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 137309965
N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine
CID 53396668
methyl (2S)-2-methyl-3-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]oxypropanoate
CID 10913234

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol?
The IUPAC name of 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol (CID 135580355) is 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol.
What is the SMILES notation for 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol?
The canonical SMILES for 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol is Oc1ccc(/C=N/OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol?
The InChIKey is CRYDUZSLNLXVRH-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)13-5-1-12(2-6-13)10-21-19-9-11-3-7-14(20)8-4-11/h1-9,20H,10H2/b19-9+.
What are the key properties of 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol?
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol has a molecular weight of 295.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol is sourced from PubChem (CID 135580355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).