4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol

C24H33NO — CID 160938473

IUPAC4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
SMILESCc1cc(C(C)(C)C)cc(/C=N/c2c(C(C)C)cccc2C(C)C)c1O
InChIInChI=1S/C24H33NO/c1-15(2)20-10-9-11-21(16(3)4)22(20)25-14-18-13-19(24(6,7)8)12-17(5)23(18)26/h9-16,26H,1-8H3/b25-14+
InChIKeySJBZASZBIWHHOK-AFUMVMLFSA-N
MW351.53 g/mol
LogP7.00
Rot. Bonds4

About 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol

4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol (PubChem CID 160938473) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
PubChem CID160938473
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
SMILESCc1cc(C(C)(C)C)cc(/C=N/c2c(C(C)C)cccc2C(C)C)c1O
InChIInChI=1S/C24H33NO/c1-15(2)20-10-9-11-21(16(3)4)22(20)25-14-18-13-19(24(6,7)8)12-17(5)23(18)26/h9-16,26H,1-8H3/b25-14+
InChIKeySJBZASZBIWHHOK-AFUMVMLFSA-N
XLogP7.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-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

4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
CID 136747675
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
CID 135431783
3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
bis(trimethylsilyl)azanide;bis(2,4-ditert-butyl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenolate);lanthanum(3+)
CID 139135535
2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol
CID 137282686
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 136669440
CID 160802568
CID 160802568
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol?
The IUPAC name of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol (CID 160938473) is 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol.
What is the SMILES notation for 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol?
The canonical SMILES for 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol is Cc1cc(C(C)(C)C)cc(/C=N/c2c(C(C)C)cccc2C(C)C)c1O.
What is the InChIKey of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol?
The InChIKey is SJBZASZBIWHHOK-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H33NO/c1-15(2)20-10-9-11-21(16(3)4)22(20)25-14-18-13-19(24(6,7)8)12-17(5)23(18)26/h9-16,26H,1-8H3/b25-14+.
What are the key properties of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol?
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol has a molecular weight of 351.53 g/mol, XLogP of 7.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol is sourced from PubChem (CID 160938473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).