[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C20H23O3P — CID 58752978

IUPAC[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESC=COCCP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H23O3P/c1-5-23-11-12-24(22,18-9-7-6-8-10-18)20(21)19-16(3)13-15(2)14-17(19)4/h5-10,13-14H,1,11-12H2,2-4H3
InChIKeyVFUDQUJVWBCUIY-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.60
Rot. Bonds7

About [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 58752978) has the molecular formula C20H23O3P and a molecular weight of 342.38 g/mol. Its IUPAC name is [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID58752978
Molecular FormulaC20H23O3P
Molecular Weight342.38 g/mol
Exact Mass342.14
IUPAC Name[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESC=COCCP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H23O3P/c1-5-23-11-12-24(22,18-9-7-6-8-10-18)20(21)19-16(3)13-15(2)14-17(19)4/h5-10,13-14H,1,11-12H2,2-4H3
InChIKeyVFUDQUJVWBCUIY-UHFFFAOYSA-N
XLogP4.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl 3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]propanoate
CID 151707072
[[[chloromethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;ethene
CID 159449240
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511
(2-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 118231450
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
CID 157152357
CID 157152357
(4-tert-butyl-2,6-dimethylphenyl)-[ethyl(phenyl)phosphoryl]methanone
CID 18513883
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 91322259
(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413

Frequently Asked Questions

What is the IUPAC name of [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 58752978) is [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is C=COCCP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is VFUDQUJVWBCUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O3P/c1-5-23-11-12-24(22,18-9-7-6-8-10-18)20(21)19-16(3)13-15(2)14-17(19)4/h5-10,13-14H,1,11-12H2,2-4H3.
What are the key properties of [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 342.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethenoxyethyl(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 58752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).