oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium

C21H26O2P+ — CID 91323174

IUPACoxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
SMILESCCC(CC)(C(=O)c1c(C)cc(C)cc1C)[P+](=O)c1ccccc1
InChIInChI=1S/C21H26O2P/c1-6-21(7-2,24(23)18-11-9-8-10-12-18)20(22)19-16(4)13-15(3)14-17(19)5/h8-14H,6-7H2,1-5H3/q+1
InChIKeyWSEDZDOUUYLBRF-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.51
Rot. Bonds6

About oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium

oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium (PubChem CID 91323174) has the molecular formula C21H26O2P+ and a molecular weight of 341.41 g/mol. Its IUPAC name is oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium.

Molecular Properties

Compound Nameoxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
PubChem CID91323174
Molecular FormulaC21H26O2P+
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameoxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
SMILESCCC(CC)(C(=O)c1c(C)cc(C)cc1C)[P+](=O)c1ccccc1
InChIInChI=1S/C21H26O2P/c1-6-21(7-2,24(23)18-11-9-8-10-12-18)20(22)19-16(4)13-15(3)14-17(19)5/h8-14H,6-7H2,1-5H3/q+1
InChIKeyWSEDZDOUUYLBRF-UHFFFAOYSA-N
XLogP5.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.51
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

oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056
2-methyl-1-phenylpropan-2-ol;oxo-phenyl-(2,4,6-trimethylbenzoyl)phosphanium
CID 157077671
[ethyl(phenyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;oxophosphanium
CID 160631618
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 174439247
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231
2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium?
The IUPAC name of oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium (CID 91323174) is oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium.
What is the SMILES notation for oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium?
The canonical SMILES for oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium is CCC(CC)(C(=O)c1c(C)cc(C)cc1C)[P+](=O)c1ccccc1.
What is the InChIKey of oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium?
The InChIKey is WSEDZDOUUYLBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2P/c1-6-21(7-2,24(23)18-11-9-8-10-12-18)20(22)19-16(4)13-15(3)14-17(19)5/h8-14H,6-7H2,1-5H3/q+1.
What are the key properties of oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium?
oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium has a molecular weight of 341.41 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium is sourced from PubChem (CID 91323174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).