4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide

C16H13O3P — CID 2322533

IUPAC4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide
SMILESO=P1(O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18)
InChIKeyGTQWDLLIYQXLFL-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.28
Rot. Bonds2

About 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide

4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide (PubChem CID 2322533) has the molecular formula C16H13O3P and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide.

Molecular Properties

Compound Name4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide
PubChem CID2322533
Molecular FormulaC16H13O3P
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide
SMILESO=P1(O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18)
InChIKeyGTQWDLLIYQXLFL-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
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 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide?
The IUPAC name of 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide (CID 2322533) is 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide.
What is the SMILES notation for 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide?
The canonical SMILES for 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide is O=P1(O)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide?
The InChIKey is GTQWDLLIYQXLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18).
What are the key properties of 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide?
4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide has a molecular weight of 284.25 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,6-diphenyl-1,4lambda5-oxaphosphinine 4-oxide is sourced from PubChem (CID 2322533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).