[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium

C16H23NO4P+ — CID 87546881

IUPAC[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
SMILESC=Cc1ccc(C(=O)OCCP(O)C(=O)C[N+](C)(C)C)cc1
InChIInChI=1S/C16H23NO4P/c1-5-13-6-8-14(9-7-13)16(19)21-10-11-22(20)15(18)12-17(2,3)4/h5-9,20H,1,10-12H2,2-4H3/q+1
InChIKeyASFCEULSSVADPU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.11
Rot. Bonds8

About [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium

[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 87546881) has the molecular formula C16H23NO4P+ and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID87546881
Molecular FormulaC16H23NO4P+
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Name[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
SMILESC=Cc1ccc(C(=O)OCCP(O)C(=O)C[N+](C)(C)C)cc1
InChIInChI=1S/C16H23NO4P/c1-5-13-6-8-14(9-7-13)16(19)21-10-11-22(20)15(18)12-17(2,3)4/h5-9,20H,1,10-12H2,2-4H3/q+1
InChIKeyASFCEULSSVADPU-UHFFFAOYSA-N
XLogP2.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-ethenylbenzoate
CID 58960727
hexyl 4-ethenylbenzoate
CID 12541506
5-bromopentyl 4-ethenylbenzoate
CID 54019940
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
4-(2-chloroethoxy)butyl 4-ethenylbenzoate
CID 57236268
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
4-diethoxysilylbutyl 4-ethenylbenzoate
CID 175332741
6-(2,4-diaminophenoxy)hexyl 4-ethenylbenzoate
CID 130380816
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
[2-(4-methylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 139830728
ethyl 4-[2-(4-ethenylphenyl)ethynyl]benzoate
CID 132532578

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium (CID 87546881) is [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium is C=Cc1ccc(C(=O)OCCP(O)C(=O)C[N+](C)(C)C)cc1.
What is the InChIKey of [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is ASFCEULSSVADPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4P/c1-5-13-6-8-14(9-7-13)16(19)21-10-11-22(20)15(18)12-17(2,3)4/h5-9,20H,1,10-12H2,2-4H3/q+1.
What are the key properties of [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 324.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethenylbenzoyl)oxyethyl-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 87546881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).