2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol

C26H36N2O2 — CID 135516536

IUPAC2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/CC/N=C/c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H36N2O2/c1-17-11-19(23(29)21(13-17)25(3,4)5)15-27-9-10-28-16-20-12-18(2)14-22(24(20)30)26(6,7)8/h11-16,29-30H,9-10H2,1-8H3/b27-15+,28-16+
InChIKeyAENRVFXSTNGVBE-DPCVLPDWSA-N
MW408.59 g/mol
LogP5.85
Rot. Bonds5

About 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol

2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol (PubChem CID 135516536) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol
PubChem CID135516536
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol
SMILESCc1cc(/C=N/CC/N=C/c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H36N2O2/c1-17-11-19(23(29)21(13-17)25(3,4)5)15-27-9-10-28-16-20-12-18(2)14-22(24(20)30)26(6,7)8/h11-16,29-30H,9-10H2,1-8H3/b27-15+,28-16+
InChIKeyAENRVFXSTNGVBE-DPCVLPDWSA-N
XLogP5.85
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol (CID 135516536) is 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol is Cc1cc(/C=N/CC/N=C/c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol?
The InChIKey is AENRVFXSTNGVBE-DPCVLPDWSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-17-11-19(23(29)21(13-17)25(3,4)5)15-27-9-10-28-16-20-12-18(2)14-22(24(20)30)26(6,7)8/h11-16,29-30H,9-10H2,1-8H3/b27-15+,28-16+.
What are the key properties of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol?
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol has a molecular weight of 408.59 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]ethyliminomethyl]-4-methylphenol is sourced from PubChem (CID 135516536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).