4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

C33H50N2O2 — CID 137167260

IUPAC4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCCCCc1cc(/C=N/CCC/N=C/c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C33H50N2O2/c1-9-11-14-24-18-26(30(36)28(20-24)32(3,4)5)22-34-16-13-17-35-23-27-19-25(15-12-10-2)21-29(31(27)37)33(6,7)8/h18-23,36-37H,9-17H2,1-8H3/b34-22+,35-23+
InChIKeyOPJQKGRFHOAGJO-RSVUCGLWSA-N
MW506.78 g/mol
LogP8.31
Rot. Bonds12

About 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (PubChem CID 137167260) has the molecular formula C33H50N2O2 and a molecular weight of 506.78 g/mol. Its IUPAC name is 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.

Molecular Properties

Compound Name4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
PubChem CID137167260
Molecular FormulaC33H50N2O2
Molecular Weight506.78 g/mol
Exact Mass506.39
IUPAC Name4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCCCCc1cc(/C=N/CCC/N=C/c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C33H50N2O2/c1-9-11-14-24-18-26(30(36)28(20-24)32(3,4)5)22-34-16-13-17-35-23-27-19-25(15-12-10-2)21-29(31(27)37)33(6,7)8/h18-23,36-37H,9-17H2,1-8H3/b34-22+,35-23+
InChIKeyOPJQKGRFHOAGJO-RSVUCGLWSA-N
XLogP8.31
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.78
LogP ≤ 58.31
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-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
2-tert-butyl-6-[3-[[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]methylideneamino]propyliminomethyl]-4-(2-methylpropyl)phenol
CID 137069343
4-butyl-2,6-ditert-butylphenol
CID 158079570
4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137079191
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529
4-butan-2-yl-2-[3-[(5-butan-2-yl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-tert-butylphenol
CID 137166474
cobalt(2+);2,4-dibutyl-6-[3-[(3,5-dibutyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;diacetate
CID 162242811
bis(2-tert-butyl-4-octyl-6-(propan-2-yliminomethyl)phenol);dichlorozirconium
CID 177212002
2-tert-butyl-4-[2-[4-[2-[3-tert-butyl-4-hydroxy-5-(octyliminomethyl)phenyl]ethynyl]phenyl]ethynyl]-6-(octyliminomethyl)phenol
CID 136738351
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
CID 136835563
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
CID 136835032
CID 173215314
CID 173215314

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The IUPAC name of 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (CID 137167260) is 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.
What is the SMILES notation for 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The canonical SMILES for 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is CCCCc1cc(/C=N/CCC/N=C/c2cc(CCCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The InChIKey is OPJQKGRFHOAGJO-RSVUCGLWSA-N. The full InChI is InChI=1S/C33H50N2O2/c1-9-11-14-24-18-26(30(36)28(20-24)32(3,4)5)22-34-16-13-17-35-23-27-19-25(15-12-10-2)21-29(31(27)37)33(6,7)8/h18-23,36-37H,9-17H2,1-8H3/b34-22+,35-23+.
What are the key properties of 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol has a molecular weight of 506.78 g/mol, XLogP of 8.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is sourced from PubChem (CID 137167260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).