1-diphenylphosphanylpropan-1-one

C15H15OP — CID 15810556

IUPAC1-diphenylphosphanylpropan-1-one
SMILESCCC(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15OP/c1-2-15(16)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyGQBLHVBVWRJYKQ-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.06
Rot. Bonds4

About 1-diphenylphosphanylpropan-1-one

1-diphenylphosphanylpropan-1-one (PubChem CID 15810556) has the molecular formula C15H15OP and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-diphenylphosphanylpropan-1-one.

Molecular Properties

Compound Name1-diphenylphosphanylpropan-1-one
PubChem CID15810556
Molecular FormulaC15H15OP
Molecular Weight242.26 g/mol
Exact Mass242.09
IUPAC Name1-diphenylphosphanylpropan-1-one
SMILESCCC(=O)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15OP/c1-2-15(16)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyGQBLHVBVWRJYKQ-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.06
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-diphenylphosphanylpropan-1-one?
The IUPAC name of 1-diphenylphosphanylpropan-1-one (CID 15810556) is 1-diphenylphosphanylpropan-1-one.
What is the SMILES notation for 1-diphenylphosphanylpropan-1-one?
The canonical SMILES for 1-diphenylphosphanylpropan-1-one is CCC(=O)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanylpropan-1-one?
The InChIKey is GQBLHVBVWRJYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15OP/c1-2-15(16)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of 1-diphenylphosphanylpropan-1-one?
1-diphenylphosphanylpropan-1-one has a molecular weight of 242.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylpropan-1-one is sourced from PubChem (CID 15810556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).