2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol

C20H25NO2 — CID 137088814

IUPAC2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
SMILESCOc1cc(/C=N/c2c(C)cccc2C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H25NO2/c1-13-8-7-9-14(2)18(13)21-12-15-10-16(23-6)11-17(19(15)22)20(3,4)5/h7-12,22H,1-6H3/b21-12+
InChIKeyAMRNPQCHMZPCAU-CIAFOILYSA-N
MW311.43 g/mol
LogP5.07
Rot. Bonds3

About 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol

2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol (PubChem CID 137088814) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
PubChem CID137088814
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
SMILESCOc1cc(/C=N/c2c(C)cccc2C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H25NO2/c1-13-8-7-9-14(2)18(13)21-12-15-10-16(23-6)11-17(19(15)22)20(3,4)5/h7-12,22H,1-6H3/b21-12+
InChIKeyAMRNPQCHMZPCAU-CIAFOILYSA-N
XLogP5.07
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
2-tert-butyl-6-[[2-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methoxyphenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137037567
2,4-ditert-butyl-6-[(2,6-dimethyl-4-nitrophenyl)iminomethyl]phenol
CID 136591637
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
2-[[1,1-bis(5-tert-butyl-2-methoxyphenyl)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-6-tert-butyl-4-methoxyphenol
CID 139698035
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
4-bromo-2-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol?
The IUPAC name of 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol (CID 137088814) is 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol is COc1cc(/C=N/c2c(C)cccc2C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol?
The InChIKey is AMRNPQCHMZPCAU-CIAFOILYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-8-7-9-14(2)18(13)21-12-15-10-16(23-6)11-17(19(15)22)20(3,4)5/h7-12,22H,1-6H3/b21-12+.
What are the key properties of 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol?
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol has a molecular weight of 311.43 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol is sourced from PubChem (CID 137088814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).