1-cyclohexyl-2-diphenylphosphorylpropan-1-one

C21H25O2P — CID 10893177

IUPAC1-cyclohexyl-2-diphenylphosphorylpropan-1-one
SMILESCC(C(=O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25O2P/c1-17(21(22)18-11-5-2-6-12-18)24(23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3
InChIKeyLARXGAVQLOOTKY-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.54
Rot. Bonds5

About 1-cyclohexyl-2-diphenylphosphorylpropan-1-one

1-cyclohexyl-2-diphenylphosphorylpropan-1-one (PubChem CID 10893177) has the molecular formula C21H25O2P and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-diphenylphosphorylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-2-diphenylphosphorylpropan-1-one
PubChem CID10893177
Molecular FormulaC21H25O2P
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-cyclohexyl-2-diphenylphosphorylpropan-1-one
SMILESCC(C(=O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25O2P/c1-17(21(22)18-11-5-2-6-12-18)24(23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3
InChIKeyLARXGAVQLOOTKY-UHFFFAOYSA-N
XLogP4.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
4-diphenylphosphorylpent-1-en-3-one
CID 162717312
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
(2S,3R)-3-diphenylphosphoryl-1-[(2R)-piperidin-2-yl]butan-2-ol
CID 10089710
(1S,2S)-1-cyclohexyl-2-diphenylphosphoryl-4-methylpent-3-en-1-ol
CID 98040527
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-diphenylphosphorylpropan-1-one?
The IUPAC name of 1-cyclohexyl-2-diphenylphosphorylpropan-1-one (CID 10893177) is 1-cyclohexyl-2-diphenylphosphorylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-2-diphenylphosphorylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-2-diphenylphosphorylpropan-1-one is CC(C(=O)C1CCCCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-2-diphenylphosphorylpropan-1-one?
The InChIKey is LARXGAVQLOOTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25O2P/c1-17(21(22)18-11-5-2-6-12-18)24(23,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h3-4,7-10,13-18H,2,5-6,11-12H2,1H3.
What are the key properties of 1-cyclohexyl-2-diphenylphosphorylpropan-1-one?
1-cyclohexyl-2-diphenylphosphorylpropan-1-one has a molecular weight of 340.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-diphenylphosphorylpropan-1-one is sourced from PubChem (CID 10893177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).