2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane

C29H36NOP — CID 71039911

IUPAC2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
SMILESCc1ccc(PC(C)(C)c2cccc(C)c2OCc2ccccc2)c(N2CCCCC2)c1
InChIInChI=1S/C29H36NOP/c1-22-16-17-27(26(20-22)30-18-9-6-10-19-30)32-29(3,4)25-15-11-12-23(2)28(25)31-21-24-13-7-5-8-14-24/h5,7-8,11-17,20,32H,6,9-10,18-19,21H2,1-4H3
InChIKeyMZFXLBRZXMXXCP-UHFFFAOYSA-N
MW445.59 g/mol
LogP7.11
Rot. Bonds7

About 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane

2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane (PubChem CID 71039911) has the molecular formula C29H36NOP and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane.

Molecular Properties

Compound Name2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
PubChem CID71039911
Molecular FormulaC29H36NOP
Molecular Weight445.59 g/mol
Exact Mass445.25
IUPAC Name2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
SMILESCc1ccc(PC(C)(C)c2cccc(C)c2OCc2ccccc2)c(N2CCCCC2)c1
InChIInChI=1S/C29H36NOP/c1-22-16-17-27(26(20-22)30-18-9-6-10-19-30)32-29(3,4)25-15-11-12-23(2)28(25)31-21-24-13-7-5-8-14-24/h5,7-8,11-17,20,32H,6,9-10,18-19,21H2,1-4H3
InChIKeyMZFXLBRZXMXXCP-UHFFFAOYSA-N
XLogP7.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 57.11
H-Bond Donors ≤ 50
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-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
The IUPAC name of 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane (CID 71039911) is 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane.
What is the SMILES notation for 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
The canonical SMILES for 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane is Cc1ccc(PC(C)(C)c2cccc(C)c2OCc2ccccc2)c(N2CCCCC2)c1.
What is the InChIKey of 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
The InChIKey is MZFXLBRZXMXXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36NOP/c1-22-16-17-27(26(20-22)30-18-9-6-10-19-30)32-29(3,4)25-15-11-12-23(2)28(25)31-21-24-13-7-5-8-14-24/h5,7-8,11-17,20,32H,6,9-10,18-19,21H2,1-4H3.
What are the key properties of 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane?
2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane has a molecular weight of 445.59 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane is sourced from PubChem (CID 71039911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).