2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol

C22H29NO — CID 135980173

IUPAC2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
SMILESCc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H29NO/c1-15-10-8-9-11-19(15)23-14-16-12-17(21(2,3)4)13-18(20(16)24)22(5,6)7/h8-14,24H,1-7H3/b23-14+
InChIKeyNTAVIXPUIJKYDB-OEAKJJBVSA-N
MW323.48 g/mol
LogP6.05
Rot. Bonds2

About 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol

2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol (PubChem CID 135980173) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
PubChem CID135980173
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
SMILESCc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H29NO/c1-15-10-8-9-11-19(15)23-14-16-12-17(21(2,3)4)13-18(20(16)24)22(5,6)7/h8-14,24H,1-7H3/b23-14+
InChIKeyNTAVIXPUIJKYDB-OEAKJJBVSA-N
XLogP6.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 56.05
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

2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
2,4-ditert-butyl-6-[[2-[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 137211461
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
CID 162278985
CID 162278985
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
CID 137225849
2,4-ditert-butyl-6-[[2-[[3,5-ditert-butyl-2-[chloro(methyl)alumanyl]oxyphenyl]methylideneamino]phenyl]iminomethyl]phenol
CID 155648257
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]-4-hydroxybenzaldehyde
CID 175778675
2,4-ditert-butyl-6-[(2-phenylsulfanylphenyl)iminomethyl]phenol;trichlorotitanium
CID 135475785
2,4-ditert-butyl-6-[[2-(2,6-dimethylphenoxy)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(N-methylanilino)phenyl]iminomethyl]phenol
CID 137057879

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol (CID 135980173) is 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol is Cc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol?
The InChIKey is NTAVIXPUIJKYDB-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H29NO/c1-15-10-8-9-11-19(15)23-14-16-12-17(21(2,3)4)13-18(20(16)24)22(5,6)7/h8-14,24H,1-7H3/b23-14+.
What are the key properties of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol?
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol has a molecular weight of 323.48 g/mol, XLogP of 6.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135980173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).