2-diphenylphosphoryl-1-phenylhexan-1-one

C24H25O2P — CID 11843764

IUPAC2-diphenylphosphoryl-1-phenylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25O2P/c1-2-3-19-23(24(25)20-13-7-4-8-14-20)27(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3
InChIKeyXROVTDOLVOWWNR-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.44
Rot. Bonds8

About 2-diphenylphosphoryl-1-phenylhexan-1-one

2-diphenylphosphoryl-1-phenylhexan-1-one (PubChem CID 11843764) has the molecular formula C24H25O2P and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-diphenylphosphoryl-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-diphenylphosphoryl-1-phenylhexan-1-one
PubChem CID11843764
Molecular FormulaC24H25O2P
Molecular Weight376.44 g/mol
Exact Mass376.16
IUPAC Name2-diphenylphosphoryl-1-phenylhexan-1-one
SMILESCCCCC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25O2P/c1-2-3-19-23(24(25)20-13-7-4-8-14-20)27(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3
InChIKeyXROVTDOLVOWWNR-UHFFFAOYSA-N
XLogP5.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.44
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 2-diphenylphosphoryl-1-phenylhexan-1-one?
The IUPAC name of 2-diphenylphosphoryl-1-phenylhexan-1-one (CID 11843764) is 2-diphenylphosphoryl-1-phenylhexan-1-one.
What is the SMILES notation for 2-diphenylphosphoryl-1-phenylhexan-1-one?
The canonical SMILES for 2-diphenylphosphoryl-1-phenylhexan-1-one is CCCCC(C(=O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-1-phenylhexan-1-one?
The InChIKey is XROVTDOLVOWWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O2P/c1-2-3-19-23(24(25)20-13-7-4-8-14-20)27(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19H2,1H3.
What are the key properties of 2-diphenylphosphoryl-1-phenylhexan-1-one?
2-diphenylphosphoryl-1-phenylhexan-1-one has a molecular weight of 376.44 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-1-phenylhexan-1-one is sourced from PubChem (CID 11843764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).