2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol

C26H22F6N2O2 — CID 137090771

IUPAC2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
SMILESCCc1cc(C(F)(F)F)cc(/C=N/c2ccccc2/N=C/c2cc(C(F)(F)F)cc(CC)c2O)c1O
InChIInChI=1S/C26H22F6N2O2/c1-3-15-9-19(25(27,28)29)11-17(23(15)35)13-33-21-7-5-6-8-22(21)34-14-18-12-20(26(30,31)32)10-16(4-2)24(18)36/h5-14,35-36H,3-4H2,1-2H3/b33-13+,34-14+
InChIKeyBJWYXQGIOGRMJR-AWNSZPOUSA-N
MW508.46 g/mol
LogP7.76
Rot. Bonds6

About 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol

2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol (PubChem CID 137090771) has the molecular formula C26H22F6N2O2 and a molecular weight of 508.46 g/mol. Its IUPAC name is 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
PubChem CID137090771
Molecular FormulaC26H22F6N2O2
Molecular Weight508.46 g/mol
Exact Mass508.16
IUPAC Name2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
SMILESCCc1cc(C(F)(F)F)cc(/C=N/c2ccccc2/N=C/c2cc(C(F)(F)F)cc(CC)c2O)c1O
InChIInChI=1S/C26H22F6N2O2/c1-3-15-9-19(25(27,28)29)11-17(23(15)35)13-33-21-7-5-6-8-22(21)34-14-18-12-20(26(30,31)32)10-16(4-2)24(18)36/h5-14,35-36H,3-4H2,1-2H3/b33-13+,34-14+
InChIKeyBJWYXQGIOGRMJR-AWNSZPOUSA-N
XLogP7.76
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.46
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate
CID 173034040
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate
CID 161265707
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 136814264
3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde
CID 136881072
2-tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137037567
2-tert-butyl-6-[[3-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137082080
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137068909
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol (CID 137090771) is 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol is CCc1cc(C(F)(F)F)cc(/C=N/c2ccccc2/N=C/c2cc(C(F)(F)F)cc(CC)c2O)c1O.
What is the InChIKey of 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol?
The InChIKey is BJWYXQGIOGRMJR-AWNSZPOUSA-N. The full InChI is InChI=1S/C26H22F6N2O2/c1-3-15-9-19(25(27,28)29)11-17(23(15)35)13-33-21-7-5-6-8-22(21)34-14-18-12-20(26(30,31)32)10-16(4-2)24(18)36/h5-14,35-36H,3-4H2,1-2H3/b33-13+,34-14+.
What are the key properties of 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol?
2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol has a molecular weight of 508.46 g/mol, XLogP of 7.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 137090771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).