2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol

C15H23NO — CID 135995158

IUPAC2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol
SMILESCc1cc(/C=N/C(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO/c1-10(2)16-9-12-7-11(3)8-13(14(12)17)15(4,5)6/h7-10,17H,1-6H3/b16-9+
InChIKeyURRSZIFNSBOIER-CXUHLZMHSA-N
MW233.35 g/mol
LogP3.83
Rot. Bonds2

About 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol

2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol (PubChem CID 135995158) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol
PubChem CID135995158
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol
SMILESCc1cc(/C=N/C(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H23NO/c1-10(2)16-9-12-7-11(3)8-13(14(12)17)15(4,5)6/h7-10,17H,1-6H3/b16-9+
InChIKeyURRSZIFNSBOIER-CXUHLZMHSA-N
XLogP3.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]oxolan-3-yl]iminomethyl]-4-methylphenol
CID 142650758
2-tert-butyl-6-[[(1S,2S)-2-hydroxycyclohexyl]iminomethyl]-4-methylphenol
CID 139177588
2-tert-butyl-6-[(2-hydroxycyclohexyl)iminomethyl]-4-methylphenol
CID 137246755
bis(2-tert-butyl-4-octyl-6-(propan-2-yliminomethyl)phenol);dichlorozirconium
CID 177212002
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-methylphenol;cobalt(2+);diacetate
CID 158300615

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol (CID 135995158) is 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol is Cc1cc(/C=N/C(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol?
The InChIKey is URRSZIFNSBOIER-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)16-9-12-7-11(3)8-13(14(12)17)15(4,5)6/h7-10,17H,1-6H3/b16-9+.
What are the key properties of 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol?
2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol has a molecular weight of 233.35 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-(propan-2-yliminomethyl)phenol is sourced from PubChem (CID 135995158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).