2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol

C26H38NOP — CID 163873282

IUPAC2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol
SMILESCCC(Pc1ccc(C)cc1/C=N/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H38NOP/c1-10-22(29-23-12-11-17(2)13-18(23)16-27-9)20-14-19(25(3,4)5)15-21(24(20)28)26(6,7)8/h11-16,22,28-29H,10H2,1-9H3/b27-16+
InChIKeyPMRMYICOTSGULW-JVWAILMASA-N
MW411.57 g/mol
LogP6.80
Rot. Bonds5

About 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol

2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol (PubChem CID 163873282) has the molecular formula C26H38NOP and a molecular weight of 411.57 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol
PubChem CID163873282
Molecular FormulaC26H38NOP
Molecular Weight411.57 g/mol
Exact Mass411.27
IUPAC Name2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol
SMILESCCC(Pc1ccc(C)cc1/C=N/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H38NOP/c1-10-22(29-23-12-11-17(2)13-18(23)16-27-9)20-14-19(25(3,4)5)15-21(24(20)28)26(6,7)8/h11-16,22,28-29H,10H2,1-9H3/b27-16+
InChIKeyPMRMYICOTSGULW-JVWAILMASA-N
XLogP6.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-methyl-6-[3-[4-methyl-2-(methyliminomethyl)phenyl]phosphanyloctan-3-yl]phenol
CID 71191539
2-tert-butyl-4-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-dimethyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;4-methyl-2-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol
CID 160963521
1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214610
4-tert-butyl-2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-tert-butyl-4-methyl-6-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylphenol;2,4-ditert-butyl-6-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyl-6-methylphenol
CID 160780100
2,4-ditert-butyl-6-[3-[4-fluoro-2-(methyliminomethyl)phenyl]phosphanyloctan-3-yl]phenol
CID 89356185
1-[2-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 70807359
2-[[4-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenyl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 102598730
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
1-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(5-tert-butyl-3-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(3,5-ditert-butyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;1-[2-(3,5-dimethyl-2-phenylmethoxyphenyl)phosphanylphenyl]-N-methylmethanimine;N-methyl-1-[2-(5-methyl-2-phenylmethoxyphenyl)phosphanylphenyl]methanimine
CID 159625807
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2-[(1S)-1-amino-2-fluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201880

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol (CID 163873282) is 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol is CCC(Pc1ccc(C)cc1/C=N/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol?
The InChIKey is PMRMYICOTSGULW-JVWAILMASA-N. The full InChI is InChI=1S/C26H38NOP/c1-10-22(29-23-12-11-17(2)13-18(23)16-27-9)20-14-19(25(3,4)5)15-21(24(20)28)26(6,7)8/h11-16,22,28-29H,10H2,1-9H3/b27-16+.
What are the key properties of 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol?
2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol has a molecular weight of 411.57 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-[4-methyl-2-(methyliminomethyl)phenyl]phosphanylpropyl]phenol is sourced from PubChem (CID 163873282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).