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

C26H35NO — CID 137225849

IUPAC2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2C2CCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H35NO/c1-25(2,3)20-15-19(24(28)22(16-20)26(4,5)6)17-27-23-14-10-9-13-21(23)18-11-7-8-12-18/h9-10,13-18,28H,7-8,11-12H2,1-6H3/b27-17+
InChIKeyPXHVFZFWXSIDQL-WPWMEQJKSA-N
MW377.57 g/mol
LogP7.40
Rot. Bonds3

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

2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol (PubChem CID 137225849) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
PubChem CID137225849
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol
SMILESCC(C)(C)c1cc(/C=N/c2ccccc2C2CCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H35NO/c1-25(2,3)20-15-19(24(28)22(16-20)26(4,5)6)17-27-23-14-10-9-13-21(23)18-11-7-8-12-18/h9-10,13-18,28H,7-8,11-12H2,1-6H3/b27-17+
InChIKeyPXHVFZFWXSIDQL-WPWMEQJKSA-N
XLogP7.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 57.40
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

chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
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
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-methylphenyl)iminomethyl]phenol;ethane;toluene
CID 143795526
CID 162278985
CID 162278985
2-tert-butyl-6-[(2,6-dicyclohexylphenyl)iminomethyl]phenol
CID 137225880
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-1-[3-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136607421

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol (CID 137225849) is 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol is CC(C)(C)c1cc(/C=N/c2ccccc2C2CCCC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol?
The InChIKey is PXHVFZFWXSIDQL-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H35NO/c1-25(2,3)20-15-19(24(28)22(16-20)26(4,5)6)17-27-23-14-10-9-13-21(23)18-11-7-8-12-18/h9-10,13-18,28H,7-8,11-12H2,1-6H3/b27-17+.
What are the key properties of 2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol?
2,4-ditert-butyl-6-[(2-cyclopentylphenyl)iminomethyl]phenol has a molecular weight of 377.57 g/mol, XLogP of 7.40, 3 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-cyclopentylphenyl)iminomethyl]phenol is sourced from PubChem (CID 137225849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).