2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol

C24H24ClNO2 — CID 3788180

IUPAC2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
SMILESCC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1
InChIInChI=1S/C24H24ClNO2/c1-24(2,3)19-13-20(25)23(28)21(14-19)26-15-18-12-17(9-10-22(18)27)11-16-7-5-4-6-8-16/h4-10,12-15,27-28H,11H2,1-3H3/b26-15+
InChIKeyVTLTUYIEKGDLAU-CVKSISIWSA-N
MW393.91 g/mol
LogP6.39
Rot. Bonds4

About 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol

2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol (PubChem CID 3788180) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol.

Molecular Properties

Compound Name2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
PubChem CID3788180
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
SMILESCC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1
InChIInChI=1S/C24H24ClNO2/c1-24(2,3)19-13-20(25)23(28)21(14-19)26-15-18-12-17(9-10-22(18)27)11-16-7-5-4-6-8-16/h4-10,12-15,27-28H,11H2,1-3H3/b26-15+
InChIKeyVTLTUYIEKGDLAU-CVKSISIWSA-N
XLogP6.39
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol?
The IUPAC name of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol (CID 3788180) is 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol.
What is the SMILES notation for 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol?
The canonical SMILES for 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol is CC(C)(C)c1cc(Cl)c(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)c1.
What is the InChIKey of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol?
The InChIKey is VTLTUYIEKGDLAU-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-24(2,3)19-13-20(25)23(28)21(14-19)26-15-18-12-17(9-10-22(18)27)11-16-7-5-4-6-8-16/h4-10,12-15,27-28H,11H2,1-3H3/b26-15+.
What are the key properties of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol?
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol has a molecular weight of 393.91 g/mol, XLogP of 6.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol is sourced from PubChem (CID 3788180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).