1,2,6-triphenylphosphinan-4-one

C23H21OP — CID 12914046

IUPAC1,2,6-triphenylphosphinan-4-one
SMILESO=C1CC(c2ccccc2)P(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C23H21OP/c24-20-16-22(18-10-4-1-5-11-18)25(21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2
InChIKeyLQWINIIHGWXQCK-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.64
Rot. Bonds3

About 1,2,6-triphenylphosphinan-4-one

1,2,6-triphenylphosphinan-4-one (PubChem CID 12914046) has the molecular formula C23H21OP and a molecular weight of 344.39 g/mol. Its IUPAC name is 1,2,6-triphenylphosphinan-4-one.

Molecular Properties

Compound Name1,2,6-triphenylphosphinan-4-one
PubChem CID12914046
Molecular FormulaC23H21OP
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name1,2,6-triphenylphosphinan-4-one
SMILESO=C1CC(c2ccccc2)P(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C23H21OP/c24-20-16-22(18-10-4-1-5-11-18)25(21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2
InChIKeyLQWINIIHGWXQCK-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.64
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 1,2,6-triphenylphosphinan-4-one?
The IUPAC name of 1,2,6-triphenylphosphinan-4-one (CID 12914046) is 1,2,6-triphenylphosphinan-4-one.
What is the SMILES notation for 1,2,6-triphenylphosphinan-4-one?
The canonical SMILES for 1,2,6-triphenylphosphinan-4-one is O=C1CC(c2ccccc2)P(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of 1,2,6-triphenylphosphinan-4-one?
The InChIKey is LQWINIIHGWXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21OP/c24-20-16-22(18-10-4-1-5-11-18)25(21-14-8-3-9-15-21)23(17-20)19-12-6-2-7-13-19/h1-15,22-23H,16-17H2.
What are the key properties of 1,2,6-triphenylphosphinan-4-one?
1,2,6-triphenylphosphinan-4-one has a molecular weight of 344.39 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-triphenylphosphinan-4-one is sourced from PubChem (CID 12914046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).