4,4-diethyl-1-phenylphosphinoline

C19H21P — CID 132604575

IUPAC4,4-diethyl-1-phenylphosphinoline
SMILESCCC1(CC)C=CP(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21P/c1-3-19(4-2)14-15-20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19/h5-15H,3-4H2,1-2H3
InChIKeyQQFUVUSDNNWDLA-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.70
Rot. Bonds3

About 4,4-diethyl-1-phenylphosphinoline

4,4-diethyl-1-phenylphosphinoline (PubChem CID 132604575) has the molecular formula C19H21P and a molecular weight of 280.35 g/mol. Its IUPAC name is 4,4-diethyl-1-phenylphosphinoline.

Molecular Properties

Compound Name4,4-diethyl-1-phenylphosphinoline
PubChem CID132604575
Molecular FormulaC19H21P
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name4,4-diethyl-1-phenylphosphinoline
SMILESCCC1(CC)C=CP(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21P/c1-3-19(4-2)14-15-20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19/h5-15H,3-4H2,1-2H3
InChIKeyQQFUVUSDNNWDLA-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-1-phenylphosphinoline?
The IUPAC name of 4,4-diethyl-1-phenylphosphinoline (CID 132604575) is 4,4-diethyl-1-phenylphosphinoline.
What is the SMILES notation for 4,4-diethyl-1-phenylphosphinoline?
The canonical SMILES for 4,4-diethyl-1-phenylphosphinoline is CCC1(CC)C=CP(c2ccccc2)c2ccccc21.
What is the InChIKey of 4,4-diethyl-1-phenylphosphinoline?
The InChIKey is QQFUVUSDNNWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21P/c1-3-19(4-2)14-15-20(16-10-6-5-7-11-16)18-13-9-8-12-17(18)19/h5-15H,3-4H2,1-2H3.
What are the key properties of 4,4-diethyl-1-phenylphosphinoline?
4,4-diethyl-1-phenylphosphinoline has a molecular weight of 280.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-1-phenylphosphinoline is sourced from PubChem (CID 132604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).