2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol

C26H32NOP — CID 71191673

IUPAC2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
SMILESCCCC(C)(Pc1ccc(C)cc1CNC)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C26H32NOP/c1-5-15-26(3,29-25-14-11-19(2)16-22(25)18-27-4)23-17-21(12-13-24(23)28)20-9-7-6-8-10-20/h6-14,16-17,27-29H,5,15,18H2,1-4H3
InChIKeyDJVMODMXDTWYII-UHFFFAOYSA-N
MW405.52 g/mol
LogP6.11
Rot. Bonds8

About 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol

2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol (PubChem CID 71191673) has the molecular formula C26H32NOP and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol.

Molecular Properties

Compound Name2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
PubChem CID71191673
Molecular FormulaC26H32NOP
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
SMILESCCCC(C)(Pc1ccc(C)cc1CNC)c1cc(-c2ccccc2)ccc1O
InChIInChI=1S/C26H32NOP/c1-5-15-26(3,29-25-14-11-19(2)16-22(25)18-27-4)23-17-21(12-13-24(23)28)20-9-7-6-8-10-20/h6-14,16-17,27-29H,5,15,18H2,1-4H3
InChIKeyDJVMODMXDTWYII-UHFFFAOYSA-N
XLogP6.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 56.11
H-Bond Donors ≤ 52
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-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol?
The IUPAC name of 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol (CID 71191673) is 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol.
What is the SMILES notation for 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol?
The canonical SMILES for 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol is CCCC(C)(Pc1ccc(C)cc1CNC)c1cc(-c2ccccc2)ccc1O.
What is the InChIKey of 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol?
The InChIKey is DJVMODMXDTWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NOP/c1-5-15-26(3,29-25-14-11-19(2)16-22(25)18-27-4)23-17-21(12-13-24(23)28)20-9-7-6-8-10-20/h6-14,16-17,27-29H,5,15,18H2,1-4H3.
What are the key properties of 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol?
2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol has a molecular weight of 405.52 g/mol, XLogP of 6.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol is sourced from PubChem (CID 71191673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).