[2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium

C30H46O3P+ — CID 150824943

IUPAC[2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium
SMILESCOCCCCCCCCc1cccc([P+](=O)c2ccccc2)c1CCCCCCCCOC
InChIInChI=1S/C30H46O3P/c1-32-25-16-9-5-3-7-12-19-27-20-18-24-30(34(31)28-21-13-11-14-22-28)29(27)23-15-8-4-6-10-17-26-33-2/h11,13-14,18,20-22,24H,3-10,12,15-17,19,23,25-26H2,1-2H3/q+1
InChIKeyIZOXZVUJRHXZHB-UHFFFAOYSA-N
MW485.67 g/mol
LogP7.52
Rot. Bonds20

About [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium

[2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium (PubChem CID 150824943) has the molecular formula C30H46O3P+ and a molecular weight of 485.67 g/mol. Its IUPAC name is [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium
PubChem CID150824943
Molecular FormulaC30H46O3P+
Molecular Weight485.67 g/mol
Exact Mass485.32
IUPAC Name[2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium
SMILESCOCCCCCCCCc1cccc([P+](=O)c2ccccc2)c1CCCCCCCCOC
InChIInChI=1S/C30H46O3P/c1-32-25-16-9-5-3-7-12-19-27-20-18-24-30(34(31)28-21-13-11-14-22-28)29(27)23-15-8-4-6-10-17-26-33-2/h11,13-14,18,20-22,24H,3-10,12,15-17,19,23,25-26H2,1-2H3/q+1
InChIKeyIZOXZVUJRHXZHB-UHFFFAOYSA-N
XLogP7.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium?
The IUPAC name of [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium (CID 150824943) is [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium.
What is the SMILES notation for [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium?
The canonical SMILES for [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium is COCCCCCCCCc1cccc([P+](=O)c2ccccc2)c1CCCCCCCCOC.
What is the InChIKey of [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium?
The InChIKey is IZOXZVUJRHXZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O3P/c1-32-25-16-9-5-3-7-12-19-27-20-18-24-30(34(31)28-21-13-11-14-22-28)29(27)23-15-8-4-6-10-17-26-33-2/h11,13-14,18,20-22,24H,3-10,12,15-17,19,23,25-26H2,1-2H3/q+1.
What are the key properties of [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium?
[2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium has a molecular weight of 485.67 g/mol, XLogP of 7.52, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(8-methoxyoctyl)phenyl]-oxo-phenylphosphanium is sourced from PubChem (CID 150824943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).