2,6-diphenylphosphinan-4-one

C17H17OP — CID 69110592

IUPAC2,6-diphenylphosphinan-4-one
SMILESO=C1CC(c2ccccc2)PC(c2ccccc2)C1
InChIInChI=1S/C17H17OP/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17,19H,11-12H2
InChIKeySVIQYERSNXFXJG-UHFFFAOYSA-N
MW268.30 g/mol
LogP4.51
Rot. Bonds2

About 2,6-diphenylphosphinan-4-one

2,6-diphenylphosphinan-4-one (PubChem CID 69110592) has the molecular formula C17H17OP and a molecular weight of 268.30 g/mol. Its IUPAC name is 2,6-diphenylphosphinan-4-one.

Molecular Properties

Compound Name2,6-diphenylphosphinan-4-one
PubChem CID69110592
Molecular FormulaC17H17OP
Molecular Weight268.30 g/mol
Exact Mass268.10
IUPAC Name2,6-diphenylphosphinan-4-one
SMILESO=C1CC(c2ccccc2)PC(c2ccccc2)C1
InChIInChI=1S/C17H17OP/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17,19H,11-12H2
InChIKeySVIQYERSNXFXJG-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenylphosphinan-4-one?
The IUPAC name of 2,6-diphenylphosphinan-4-one (CID 69110592) is 2,6-diphenylphosphinan-4-one.
What is the SMILES notation for 2,6-diphenylphosphinan-4-one?
The canonical SMILES for 2,6-diphenylphosphinan-4-one is O=C1CC(c2ccccc2)PC(c2ccccc2)C1.
What is the InChIKey of 2,6-diphenylphosphinan-4-one?
The InChIKey is SVIQYERSNXFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17OP/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17,19H,11-12H2.
What are the key properties of 2,6-diphenylphosphinan-4-one?
2,6-diphenylphosphinan-4-one has a molecular weight of 268.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenylphosphinan-4-one is sourced from PubChem (CID 69110592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).