2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol

C30H36N2O2 — CID 137162019

IUPAC2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/c2cccc(/N=C/c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H36N2O2/c1-19-12-21(27(33)25(14-19)29(3,4)5)17-31-23-10-9-11-24(16-23)32-18-22-13-20(2)15-26(28(22)34)30(6,7)8/h9-18,33-34H,1-8H3/b31-17+,32-18+
InChIKeyZXKKEZDYQMBELG-LTTYKRRRSA-N
MW456.63 g/mol
LogP7.81
Rot. Bonds4

About 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol (PubChem CID 137162019) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
PubChem CID137162019
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/c2cccc(/N=C/c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C30H36N2O2/c1-19-12-21(27(33)25(14-19)29(3,4)5)17-31-23-10-9-11-24(16-23)32-18-22-13-20(2)15-26(28(22)34)30(6,7)8/h9-18,33-34H,1-8H3/b31-17+,32-18+
InChIKeyZXKKEZDYQMBELG-LTTYKRRRSA-N
XLogP7.81
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-[[3-[[3-tert-butyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137082080
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2-tert-butyl-4-methyl-6-[(4-prop-2-enoxyphenyl)iminomethyl]phenol
CID 137225956
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
CID 173034032
2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol
CID 135995158
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2-[[4-[bis[4-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]-(4-methylphenyl)methyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 136635876
2-iodo-4-methyl-6-(phenyliminomethyl)phenol
CID 135988546
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
CID 137088814

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol (CID 137162019) is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol is Cc1cc(/C=N/c2cccc(/N=C/c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol?
The InChIKey is ZXKKEZDYQMBELG-LTTYKRRRSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-19-12-21(27(33)25(14-19)29(3,4)5)17-31-23-10-9-11-24(16-23)32-18-22-13-20(2)15-26(28(22)34)30(6,7)8/h9-18,33-34H,1-8H3/b31-17+,32-18+.
What are the key properties of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol?
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol has a molecular weight of 456.63 g/mol, XLogP of 7.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol is sourced from PubChem (CID 137162019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).