2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol

C34H48NOP — CID 89214353

IUPAC2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
SMILESCCC(C)(Pc1c(C)cccc1CN(C)Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H48NOP/c1-11-34(9,29-21-27(32(3,4)5)20-28(30(29)36)33(6,7)8)37-31-24(2)16-15-19-26(31)23-35(10)22-25-17-13-12-14-18-25/h12-21,36-37H,11,22-23H2,1-10H3
InChIKeyDOCUZKFXTRBOCM-UHFFFAOYSA-N
MW517.74 g/mol
LogP8.56
Rot. Bonds8

About 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol

2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol (PubChem CID 89214353) has the molecular formula C34H48NOP and a molecular weight of 517.74 g/mol. Its IUPAC name is 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
PubChem CID89214353
Molecular FormulaC34H48NOP
Molecular Weight517.74 g/mol
Exact Mass517.35
IUPAC Name2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol
SMILESCCC(C)(Pc1c(C)cccc1CN(C)Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H48NOP/c1-11-34(9,29-21-27(32(3,4)5)20-28(30(29)36)33(6,7)8)37-31-24(2)16-15-19-26(31)23-35(10)22-25-17-13-12-14-18-25/h12-21,36-37H,11,22-23H2,1-10H3
InChIKeyDOCUZKFXTRBOCM-UHFFFAOYSA-N
XLogP8.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.74
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
The IUPAC name of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol (CID 89214353) is 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol.
What is the SMILES notation for 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
The canonical SMILES for 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol is CCC(C)(Pc1c(C)cccc1CN(C)Cc1ccccc1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
The InChIKey is DOCUZKFXTRBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48NOP/c1-11-34(9,29-21-27(32(3,4)5)20-28(30(29)36)33(6,7)8)37-31-24(2)16-15-19-26(31)23-35(10)22-25-17-13-12-14-18-25/h12-21,36-37H,11,22-23H2,1-10H3.
What are the key properties of 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol?
2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol has a molecular weight of 517.74 g/mol, XLogP of 8.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[benzyl(methyl)amino]methyl]-6-methylphenyl]phosphanylbutan-2-yl]-4,6-ditert-butylphenol is sourced from PubChem (CID 89214353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).