2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol

C29H35NO2 — CID 135588587

IUPAC2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/C(c2ccccc2)C(O)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H35NO2/c1-28(2,3)23-17-22(26(31)24(18-23)29(4,5)6)19-30-25(20-13-9-7-10-14-20)27(32)21-15-11-8-12-16-21/h7-19,25,27,31-32H,1-6H3/b30-19+
InChIKeyIXZSHYIACBWIFQ-NDZAJKAJSA-N
MW429.60 g/mol
LogP6.88
Rot. Bonds5

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

2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol (PubChem CID 135588587) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
PubChem CID135588587
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC Name2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/C(c2ccccc2)C(O)c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C29H35NO2/c1-28(2,3)23-17-22(26(31)24(18-23)29(4,5)6)19-30-25(20-13-9-7-10-14-20)27(32)21-15-11-8-12-16-21/h7-19,25,27,31-32H,1-6H3/b30-19+
InChIKeyIXZSHYIACBWIFQ-NDZAJKAJSA-N
XLogP6.88
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 56.88
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
4-tert-butyl-2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135512991
2,4-ditert-butyl-6-[[(1R,2R)-2-(1,3-dihydroisoindol-2-yl)-1,2-diphenylethyl]iminomethyl]phenol
CID 136880146
2-(1-adamantyl)-4-tert-butyl-6-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]phenol
CID 135466375
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxy-5-nitrophenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
CID 139264646
2-tert-butyl-6-[[(1R,2R)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]phenol;oxomanganese
CID 139264727
4-[[(1R,2S)-2-hydroxy-1,2-diphenylethyl]iminomethyl]benzene-1,3-diol
CID 136694888
2-[[(1S,2S)-2-[[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-hydroxyphenyl]methylideneamino]-1,2-diphenylethyl]iminomethyl]-4,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenol
CID 136776481
2-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]-4-[[4-hydroxy-3-[[(1S,2R)-2-hydroxy-1,2-diphenylethyl]iminomethyl]-5-methylphenyl]methyl]-6-methylphenol
CID 136688364
(2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
CID 136740415
2,4-ditert-butyl-6-[[(2R)-1-hydroxy-2-phenylpropan-2-yl]iminomethyl]phenol
CID 136693869
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol (CID 135588587) is 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol is CC(C)(C)c1cc(/C=N/C(c2ccccc2)C(O)c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
The InChIKey is IXZSHYIACBWIFQ-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H35NO2/c1-28(2,3)23-17-22(26(31)24(18-23)29(4,5)6)19-30-25(20-13-9-7-10-14-20)27(32)21-15-11-8-12-16-21/h7-19,25,27,31-32H,1-6H3/b30-19+.
What are the key properties of 2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol?
2,4-ditert-butyl-6-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol has a molecular weight of 429.60 g/mol, XLogP of 6.88, 5 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-[(2-hydroxy-1,2-diphenylethyl)iminomethyl]phenol is sourced from PubChem (CID 135588587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).