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

C31H43NO — CID 143795526

IUPAC2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
SMILESCC.Cc1ccccc1.Cc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H29NO.C7H8.C2H6/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;1-7-5-3-2-4-6-7;1-2/h8-14,24H,1-7H3;2-6H,1H3;1-2H3/b23-14+;;
InChIKeyLBZYVSKTUJPWPC-PQZUSRQGSA-N
MW445.69 g/mol
LogP9.07
Rot. Bonds2

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

2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene (PubChem CID 143795526) has the molecular formula C31H43NO and a molecular weight of 445.69 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
PubChem CID143795526
Molecular FormulaC31H43NO
Molecular Weight445.69 g/mol
Exact Mass445.33
IUPAC Name2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene
SMILESCC.Cc1ccccc1.Cc1ccccc1/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H29NO.C7H8.C2H6/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;1-7-5-3-2-4-6-7;1-2/h8-14,24H,1-7H3;2-6H,1H3;1-2H3/b23-14+;;
InChIKeyLBZYVSKTUJPWPC-PQZUSRQGSA-N
XLogP9.07
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 59.07
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
CID 135980173
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-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
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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene?
The IUPAC name of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene (CID 143795526) is 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene?
The canonical SMILES for 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene is CC.Cc1ccccc1.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;ethane;toluene?
The InChIKey is LBZYVSKTUJPWPC-PQZUSRQGSA-N. The full InChI is InChI=1S/C22H29NO.C7H8.C2H6/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;1-7-5-3-2-4-6-7;1-2/h8-14,24H,1-7H3;2-6H,1H3;1-2H3/b23-14+;;.
What are the key properties of 2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene?
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol;ethane;toluene has a molecular weight of 445.69 g/mol, XLogP of 9.07, 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;ethane;toluene is sourced from PubChem (CID 143795526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).