2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol

C24H30I2N2O2 — CID 136835032

IUPAC2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
SMILESCC(C)(C)c1cc(I)cc(/C=N/CC/N=C/c2cc(I)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C24H30I2N2O2/c1-23(2,3)19-11-17(25)9-15(21(19)29)13-27-7-8-28-14-16-10-18(26)12-20(22(16)30)24(4,5)6/h9-14,29-30H,7-8H2,1-6H3/b27-13+,28-14+
InChIKeyXUSHGCXURMOMLG-OCHFTUDZSA-N
MW632.32 g/mol
LogP6.44
Rot. Bonds5

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

2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol (PubChem CID 136835032) has the molecular formula C24H30I2N2O2 and a molecular weight of 632.32 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
PubChem CID136835032
Molecular FormulaC24H30I2N2O2
Molecular Weight632.32 g/mol
Exact Mass632.04
IUPAC Name2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
SMILESCC(C)(C)c1cc(I)cc(/C=N/CC/N=C/c2cc(I)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C24H30I2N2O2/c1-23(2,3)19-11-17(25)9-15(21(19)29)13-27-7-8-28-14-16-10-18(26)12-20(22(16)30)24(4,5)6/h9-14,29-30H,7-8H2,1-6H3/b27-13+,28-14+
InChIKeyXUSHGCXURMOMLG-OCHFTUDZSA-N
XLogP6.44
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.32
LogP ≤ 56.44
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol 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

CID 173215314
CID 173215314
2,4-ditert-butyl-6-[2-[(2-hydroxy-3,5-diiodophenyl)methyl-methylamino]ethyliminomethyl]phenol
CID 136703027
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
CID 136835563
2-tert-butyl-6-[3-[[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]methylideneamino]propyliminomethyl]-4-(2-methylpropyl)phenol
CID 137069343
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
CID 136790281
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 137167260
2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136814344
CID 173199978
CID 173199978
2-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol?
The IUPAC name of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol (CID 136835032) is 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol.
What is the SMILES notation for 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol?
The canonical SMILES for 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol is CC(C)(C)c1cc(I)cc(/C=N/CC/N=C/c2cc(I)cc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol?
The InChIKey is XUSHGCXURMOMLG-OCHFTUDZSA-N. The full InChI is InChI=1S/C24H30I2N2O2/c1-23(2,3)19-11-17(25)9-15(21(19)29)13-27-7-8-28-14-16-10-18(26)12-20(22(16)30)24(4,5)6/h9-14,29-30H,7-8H2,1-6H3/b27-13+,28-14+.
What are the key properties of 2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol?
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol has a molecular weight of 632.32 g/mol, XLogP of 6.44, 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-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol is sourced from PubChem (CID 136835032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).