lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate

C11H14LiO5P — CID 140684013

IUPAClithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate
SMILESCOc1ccc(CCOP(=O)([O-])C(C)=O)cc1.[Li+]
InChIInChI=1S/C11H15O5P.Li/c1-9(12)17(13,14)16-8-7-10-3-5-11(15-2)6-4-10;/h3-6H,7-8H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyFTJWZRIPWIZUNG-UHFFFAOYSA-M
MW264.14 g/mol
LogP-1.64
Rot. Bonds6

About lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate

lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate (PubChem CID 140684013) has the molecular formula C11H14LiO5P and a molecular weight of 264.14 g/mol. Its IUPAC name is lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate.

Molecular Properties

Compound Namelithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate
PubChem CID140684013
Molecular FormulaC11H14LiO5P
Molecular Weight264.14 g/mol
Exact Mass264.07
IUPAC Namelithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate
SMILESCOc1ccc(CCOP(=O)([O-])C(C)=O)cc1.[Li+]
InChIInChI=1S/C11H15O5P.Li/c1-9(12)17(13,14)16-8-7-10-3-5-11(15-2)6-4-10;/h3-6H,7-8H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyFTJWZRIPWIZUNG-UHFFFAOYSA-M
XLogP-1.64
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
[hydroxy(oxido)phosphoryl] hydrogen phosphate;bis((4-methoxyphenyl)methylazanium)
CID 139085147
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
4-diazo-1-(4-methoxyphenyl)pentan-3-one
CID 85408653
1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone
CID 156754272
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
(4-methoxyphenyl)methoxy-methylphosphinic acid
CID 18801166
3-[2-(4-methoxyphenyl)ethoxy]propane-1-sulfonic acid
CID 88727030
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267

Frequently Asked Questions

What is the IUPAC name of lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate?
The IUPAC name of lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate (CID 140684013) is lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate.
What is the SMILES notation for lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate?
The canonical SMILES for lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate is COc1ccc(CCOP(=O)([O-])C(C)=O)cc1.[Li+].
What is the InChIKey of lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate?
The InChIKey is FTJWZRIPWIZUNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15O5P.Li/c1-9(12)17(13,14)16-8-7-10-3-5-11(15-2)6-4-10;/h3-6H,7-8H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate?
lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate has a molecular weight of 264.14 g/mol, XLogP of -1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate is sourced from PubChem (CID 140684013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).