9-diethoxyphosphoryl-9,10-dihydroacridine

C17H20NO3P — CID 10892477

IUPAC9-diethoxyphosphoryl-9,10-dihydroacridine
SMILESCCOP(=O)(OCC)C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C17H20NO3P/c1-3-20-22(19,21-4-2)17-13-9-5-7-11-15(13)18-16-12-8-6-10-14(16)17/h5-12,17-18H,3-4H2,1-2H3
InChIKeyRLJXAJXIOAPYSH-UHFFFAOYSA-N
MW317.33 g/mol
LogP5.10
Rot. Bonds5

About 9-diethoxyphosphoryl-9,10-dihydroacridine

9-diethoxyphosphoryl-9,10-dihydroacridine (PubChem CID 10892477) has the molecular formula C17H20NO3P and a molecular weight of 317.33 g/mol. Its IUPAC name is 9-diethoxyphosphoryl-9,10-dihydroacridine.

Molecular Properties

Compound Name9-diethoxyphosphoryl-9,10-dihydroacridine
PubChem CID10892477
Molecular FormulaC17H20NO3P
Molecular Weight317.33 g/mol
Exact Mass317.12
IUPAC Name9-diethoxyphosphoryl-9,10-dihydroacridine
SMILESCCOP(=O)(OCC)C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C17H20NO3P/c1-3-20-22(19,21-4-2)17-13-9-5-7-11-15(13)18-16-12-8-6-10-14(16)17/h5-12,17-18H,3-4H2,1-2H3
InChIKeyRLJXAJXIOAPYSH-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.33
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-diethoxyphosphoryl-9,10-dihydroacridine?
The IUPAC name of 9-diethoxyphosphoryl-9,10-dihydroacridine (CID 10892477) is 9-diethoxyphosphoryl-9,10-dihydroacridine.
What is the SMILES notation for 9-diethoxyphosphoryl-9,10-dihydroacridine?
The canonical SMILES for 9-diethoxyphosphoryl-9,10-dihydroacridine is CCOP(=O)(OCC)C1c2ccccc2Nc2ccccc21.
What is the InChIKey of 9-diethoxyphosphoryl-9,10-dihydroacridine?
The InChIKey is RLJXAJXIOAPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO3P/c1-3-20-22(19,21-4-2)17-13-9-5-7-11-15(13)18-16-12-8-6-10-14(16)17/h5-12,17-18H,3-4H2,1-2H3.
What are the key properties of 9-diethoxyphosphoryl-9,10-dihydroacridine?
9-diethoxyphosphoryl-9,10-dihydroacridine has a molecular weight of 317.33 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-diethoxyphosphoryl-9,10-dihydroacridine is sourced from PubChem (CID 10892477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).