2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol

C22H28N2O2 — CID 140501290

IUPAC2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/CCC/N=C/c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C22H28N2O2/c1-16-8-5-9-17(20(16)25)14-23-12-7-13-24-15-18-10-6-11-19(21(18)26)22(2,3)4/h5-6,8-11,14-15,25-26H,7,12-13H2,1-4H3/b23-14+,24-15+
InChIKeyUZFKPGYRYSZOJP-OZEVPFDHSA-N
MW352.48 g/mol
LogP4.63
Rot. Bonds6

About 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol

2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol (PubChem CID 140501290) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
PubChem CID140501290
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
SMILESCc1cccc(/C=N/CCC/N=C/c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C22H28N2O2/c1-16-8-5-9-17(20(16)25)14-23-12-7-13-24-15-18-10-6-11-19(21(18)26)22(2,3)4/h5-6,8-11,14-15,25-26H,7,12-13H2,1-4H3/b23-14+,24-15+
InChIKeyUZFKPGYRYSZOJP-OZEVPFDHSA-N
XLogP4.63
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.63
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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Related Compounds

2-tert-butyl-6-[6-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol;dichlorotitanium
CID 135979954
dichlorozirconium;2-[3-[(2-hydroxy-3-methylphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 135997406
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2,4,6-trimethylphenyl]iminomethyl]phenol
CID 136835974
2-tert-butyl-6-methylphenol
CID 16678
2-[[2-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylpropyl]iminomethyl]-6-methylphenol
CID 136745314
2-tert-butyl-6-methylphenol;methane
CID 159779150
4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 137167260
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-tert-butyl-6-[(1-methoxy-2-methylpropan-2-yl)iminomethyl]phenol
CID 136842036
2-tert-butyl-6-[[(2S)-2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-methylsulfanylbutyl]iminomethyl]phenol
CID 135507674
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
The IUPAC name of 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol (CID 140501290) is 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
The canonical SMILES for 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol is Cc1cccc(/C=N/CCC/N=C/c2cccc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
The InChIKey is UZFKPGYRYSZOJP-OZEVPFDHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-8-5-9-17(20(16)25)14-23-12-7-13-24-15-18-10-6-11-19(21(18)26)22(2,3)4/h5-6,8-11,14-15,25-26H,7,12-13H2,1-4H3/b23-14+,24-15+.
What are the key properties of 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol?
2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol has a molecular weight of 352.48 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol is sourced from PubChem (CID 140501290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).