2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol

C22H25N2OP — CID 76558159

IUPAC2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
SMILESCc1cc(Pc2ccccc2C=Nn2cccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H25N2OP/c1-16-13-18(22(2,3)4)21(25)20(14-16)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24/h5-15,25-26H,1-4H3
InChIKeyBRNCQHQBNQYAKX-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.31
Rot. Bonds4

About 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol

2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol (PubChem CID 76558159) has the molecular formula C22H25N2OP and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
PubChem CID76558159
Molecular FormulaC22H25N2OP
Molecular Weight364.43 g/mol
Exact Mass364.17
IUPAC Name2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol
SMILESCc1cc(Pc2ccccc2C=Nn2cccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H25N2OP/c1-16-13-18(22(2,3)4)21(25)20(14-16)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24/h5-15,25-26H,1-4H3
InChIKeyBRNCQHQBNQYAKX-UHFFFAOYSA-N
XLogP4.31
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-methyl-6-[2-[(Z)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol
CID 149182518
2-tert-butyl-4-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;4-tert-butyl-2-methyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2,4-ditert-butyl-6-[2-[(E)-piperidin-1-yliminomethyl]phenyl]phosphanylphenol;2-methyl-6-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol;2-[2-[(E)-pyrrol-1-yliminomethyl]phenyl]phosphanylphenol
CID 172960859
(E)-1-[2-[2-[3-tert-butyl-2-(methoxymethoxy)-5-methylphenyl]butan-2-ylphosphanyl]phenyl]-N-pyrrol-1-ylmethanimine
CID 88969196
1-[2-[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]phosphanylphenyl]-N-pyrrol-1-ylmethanimine
CID 76558150
2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol
CID 136503558
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
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4,6-dimethylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-4-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanyl-6-methylphenol;2-[2-(tert-butyliminomethyl)phenyl]phosphanylphenol;tetrakis(dichlorotitanium)
CID 160869020
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-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol (CID 76558159) is 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol is Cc1cc(Pc2ccccc2C=Nn2cccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
The InChIKey is BRNCQHQBNQYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2OP/c1-16-13-18(22(2,3)4)21(25)20(14-16)26-19-10-6-5-9-17(19)15-23-24-11-7-8-12-24/h5-15,25-26H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol?
2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol has a molecular weight of 364.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-[2-(pyrrol-1-yliminomethyl)phenyl]phosphanylphenol is sourced from PubChem (CID 76558159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).