oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium

C21H26O2P+ — CID 173244333

IUPACoxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
SMILESCCCCC[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H26O2P/c1-5-6-9-12-24(23)19-11-8-7-10-18(19)21(22)20-16(3)13-15(2)14-17(20)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/q+1
InChIKeyVEILYKHPCOOJHQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.49
Rot. Bonds7

About oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium

oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium (PubChem CID 173244333) has the molecular formula C21H26O2P+ and a molecular weight of 341.41 g/mol. Its IUPAC name is oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium.

Molecular Properties

Compound Nameoxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
PubChem CID173244333
Molecular FormulaC21H26O2P+
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameoxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
SMILESCCCCC[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H26O2P/c1-5-6-9-12-24(23)19-11-8-7-10-18(19)21(22)20-16(3)13-15(2)14-17(20)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/q+1
InChIKeyVEILYKHPCOOJHQ-UHFFFAOYSA-N
XLogP5.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 70022641
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
[2-(4-tert-butyl-2,6-dimethylbenzoyl)phenyl]-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 70015352
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
hexyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
CID 174400594
(2-chloro-2-ethylhexyl)-[2-(2-methylbenzoyl)phenyl]-oxophosphanium
CID 173245767
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
(2-butoxycarbonylphenyl)-(2-butoxyethyl)-oxophosphanium
CID 90416789
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600

Frequently Asked Questions

What is the IUPAC name of oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The IUPAC name of oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium (CID 173244333) is oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium.
What is the SMILES notation for oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The canonical SMILES for oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium is CCCCC[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The InChIKey is VEILYKHPCOOJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2P/c1-5-6-9-12-24(23)19-11-8-7-10-18(19)21(22)20-16(3)13-15(2)14-17(20)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/q+1.
What are the key properties of oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium has a molecular weight of 341.41 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium is sourced from PubChem (CID 173244333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).