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

C19H20O3P+ — CID 70022641

IUPACoxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
SMILESC=CCO[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H20O3P/c1-5-10-22-23(21)17-9-7-6-8-16(17)19(20)18-14(3)11-13(2)12-15(18)4/h5-9,11-12H,1,10H2,2-4H3/q+1
InChIKeyXIKXDSMHFXMNHS-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.41
Rot. Bonds6

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

oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium (PubChem CID 70022641) has the molecular formula C19H20O3P+ and a molecular weight of 327.34 g/mol. Its IUPAC name is oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium.

Molecular Properties

Compound Nameoxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
PubChem CID70022641
Molecular FormulaC19H20O3P+
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Nameoxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
SMILESC=CCO[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H20O3P/c1-5-10-22-23(21)17-9-7-6-8-16(17)19(20)18-14(3)11-13(2)12-15(18)4/h5-9,11-12H,1,10H2,2-4H3/q+1
InChIKeyXIKXDSMHFXMNHS-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxo-pentyl-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173244333
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
2-prop-2-enoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 62029854
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
methoxy-[2-(4-methylbenzoyl)phenyl]-oxophosphanium
CID 66589307
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
[2-(4-tert-butyl-2,6-dimethylbenzoyl)phenyl]-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 70015352

Frequently Asked Questions

What is the IUPAC name of oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The IUPAC name of oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium (CID 70022641) is oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium.
What is the SMILES notation for oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The canonical SMILES for oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium is C=CCO[P+](=O)c1ccccc1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
The InChIKey is XIKXDSMHFXMNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3P/c1-5-10-22-23(21)17-9-7-6-8-16(17)19(20)18-14(3)11-13(2)12-15(18)4/h5-9,11-12H,1,10H2,2-4H3/q+1.
What are the key properties of oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium?
oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium has a molecular weight of 327.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium is sourced from PubChem (CID 70022641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).