4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

C28H38N2O2 — CID 136775436

IUPAC4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C28H38N2O2/c1-27(2,3)21-11-13-25(31)19(15-21)17-29-23-9-7-8-10-24(23)30-18-20-16-22(28(4,5)6)12-14-26(20)32/h11-18,23-24,31-32H,7-10H2,1-6H3/b29-17+,30-18+
InChIKeyHRDGACHRSXGBGL-YAGSLNJISA-N
MW434.62 g/mol
LogP6.54
Rot. Bonds4

About 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol

4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (PubChem CID 136775436) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
PubChem CID136775436
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C28H38N2O2/c1-27(2,3)21-11-13-25(31)19(15-21)17-29-23-9-7-8-10-24(23)30-18-20-16-22(28(4,5)6)12-14-26(20)32/h11-18,23-24,31-32H,7-10H2,1-6H3/b29-17+,30-18+
InChIKeyHRDGACHRSXGBGL-YAGSLNJISA-N
XLogP6.54
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 56.54
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

4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt;nitric acid
CID 165430868
2-[[2-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137119365
4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 137081890
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-[[2-[[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 136819174
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
4-tert-butyl-2-[[2-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-chlorophenol
CID 5073488
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The IUPAC name of 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol (CID 136775436) is 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is CC(C)(C)c1ccc(O)c(/C=N/C2CCCCC2/N=C/c2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
The InChIKey is HRDGACHRSXGBGL-YAGSLNJISA-N. The full InChI is InChI=1S/C28H38N2O2/c1-27(2,3)21-11-13-25(31)19(15-21)17-29-23-9-7-8-10-24(23)30-18-20-16-22(28(4,5)6)12-14-26(20)32/h11-18,23-24,31-32H,7-10H2,1-6H3/b29-17+,30-18+.
What are the key properties of 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol?
4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol has a molecular weight of 434.62 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol is sourced from PubChem (CID 136775436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).