2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol

C24H33NO2 — CID 136693869

IUPAC2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/[C@@](C)(CO)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H33NO2/c1-22(2,3)19-13-17(21(27)20(14-19)23(4,5)6)15-25-24(7,16-26)18-11-9-8-10-12-18/h8-15,26-27H,16H2,1-7H3/b25-15+/t24-/m0/s1
InChIKeyKJYZABDSIJIONU-SFFGGSCWSA-N
MW367.53 g/mol
LogP5.31
Rot. Bonds4

About 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol

2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol (PubChem CID 136693869) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol
PubChem CID136693869
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/[C@@](C)(CO)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H33NO2/c1-22(2,3)19-13-17(21(27)20(14-19)23(4,5)6)15-25-24(7,16-26)18-11-9-8-10-12-18/h8-15,26-27H,16H2,1-7H3/b25-15+/t24-/m0/s1
InChIKeyKJYZABDSIJIONU-SFFGGSCWSA-N
XLogP5.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzhydryliminomethyl)-4,6-ditert-butylphenol
CID 135516520
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-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
CID 135588587
potassium 2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 156678583
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
CID 173215314
CID 173215314
chlororuthenium(1+);2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;nitroxyl anion
CID 136631894
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
(2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 136740415
2-tert-butyl-6-[(2,3,4,5,6-pentafluorophenyl)iminomethyl]-4-tritylphenol
CID 137234453
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol (CID 136693869) is 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol is CC(C)(C)c1cc(/C=N/[C@@](C)(CO)c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol?
The InChIKey is KJYZABDSIJIONU-SFFGGSCWSA-N. The full InChI is InChI=1S/C24H33NO2/c1-22(2,3)19-13-17(21(27)20(14-19)23(4,5)6)15-25-24(7,16-26)18-11-9-8-10-12-18/h8-15,26-27H,16H2,1-7H3/b25-15+/t24-/m0/s1.
What are the key properties of 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol?
2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol has a molecular weight of 367.53 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 136693869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).