1-diethylphosphoryl-4-phenoxybenzene

C16H19O2P — CID 139885609

IUPAC1-diethylphosphoryl-4-phenoxybenzene
SMILESCCP(=O)(CC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19O2P/c1-3-19(17,4-2)16-12-10-15(11-13-16)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyOBBWPXNCTHYPJZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.51
Rot. Bonds5

About 1-diethylphosphoryl-4-phenoxybenzene

1-diethylphosphoryl-4-phenoxybenzene (PubChem CID 139885609) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-diethylphosphoryl-4-phenoxybenzene.

Molecular Properties

Compound Name1-diethylphosphoryl-4-phenoxybenzene
PubChem CID139885609
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-diethylphosphoryl-4-phenoxybenzene
SMILESCCP(=O)(CC)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H19O2P/c1-3-19(17,4-2)16-12-10-15(11-13-16)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyOBBWPXNCTHYPJZ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.51
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 1-diethylphosphoryl-4-phenoxybenzene?
The IUPAC name of 1-diethylphosphoryl-4-phenoxybenzene (CID 139885609) is 1-diethylphosphoryl-4-phenoxybenzene.
What is the SMILES notation for 1-diethylphosphoryl-4-phenoxybenzene?
The canonical SMILES for 1-diethylphosphoryl-4-phenoxybenzene is CCP(=O)(CC)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-diethylphosphoryl-4-phenoxybenzene?
The InChIKey is OBBWPXNCTHYPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-3-19(17,4-2)16-12-10-15(11-13-16)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-diethylphosphoryl-4-phenoxybenzene?
1-diethylphosphoryl-4-phenoxybenzene has a molecular weight of 274.30 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylphosphoryl-4-phenoxybenzene is sourced from PubChem (CID 139885609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).