1-diphenylphosphorylpropan-2-one

C15H15O2P — CID 2424133

IUPAC1-diphenylphosphorylpropan-2-one
SMILESCC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O2P/c1-13(16)12-18(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyNBYWFYAQBSZFPC-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.59
Rot. Bonds4

About 1-diphenylphosphorylpropan-2-one

1-diphenylphosphorylpropan-2-one (PubChem CID 2424133) has the molecular formula C15H15O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is 1-diphenylphosphorylpropan-2-one.

Molecular Properties

Compound Name1-diphenylphosphorylpropan-2-one
PubChem CID2424133
Molecular FormulaC15H15O2P
Molecular Weight258.26 g/mol
Exact Mass258.08
IUPAC Name1-diphenylphosphorylpropan-2-one
SMILESCC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O2P/c1-13(16)12-18(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyNBYWFYAQBSZFPC-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.59
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-diphenylphosphorylpropan-2-one?
The IUPAC name of 1-diphenylphosphorylpropan-2-one (CID 2424133) is 1-diphenylphosphorylpropan-2-one.
What is the SMILES notation for 1-diphenylphosphorylpropan-2-one?
The canonical SMILES for 1-diphenylphosphorylpropan-2-one is CC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphorylpropan-2-one?
The InChIKey is NBYWFYAQBSZFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2P/c1-13(16)12-18(17,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 1-diphenylphosphorylpropan-2-one?
1-diphenylphosphorylpropan-2-one has a molecular weight of 258.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylpropan-2-one is sourced from PubChem (CID 2424133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).