lithium hydroxy(2-phenylethenyl)phosphinate

C8H8LiO3P — CID 162120462

IUPAClithium hydroxy(2-phenylethenyl)phosphinate
SMILESO=P([O-])(O)C=Cc1ccccc1.[Li+]
InChIInChI=1S/C8H9O3P.Li/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H2,9,10,11);/q;+1/p-1
InChIKeyZHIMKLLZTOHQRV-UHFFFAOYSA-M
MW190.06 g/mol
LogP-1.79
Rot. Bonds2

About lithium hydroxy(2-phenylethenyl)phosphinate

lithium hydroxy(2-phenylethenyl)phosphinate (PubChem CID 162120462) has the molecular formula C8H8LiO3P and a molecular weight of 190.06 g/mol. Its IUPAC name is lithium hydroxy(2-phenylethenyl)phosphinate.

Molecular Properties

Compound Namelithium hydroxy(2-phenylethenyl)phosphinate
PubChem CID162120462
Molecular FormulaC8H8LiO3P
Molecular Weight190.06 g/mol
Exact Mass190.04
IUPAC Namelithium hydroxy(2-phenylethenyl)phosphinate
SMILESO=P([O-])(O)C=Cc1ccccc1.[Li+]
InChIInChI=1S/C8H9O3P.Li/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H2,9,10,11);/q;+1/p-1
InChIKeyZHIMKLLZTOHQRV-UHFFFAOYSA-M
XLogP-1.79
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium hydroxy(2-phenylethenyl)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

dipotassium;dioxido-oxo-[(E)-2-phenylethenyl]-λ5-phosphane
CID 118537099
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
2-phenylethenyl(propyl)phosphinic acid
CID 67363439
[(E)-2-phenylethenyl]-(2-phenylethyl)phosphinic acid
CID 67362015
stilbene;sulfuric acid
CID 67612140
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
CID 11106709
lithium 3-phenylprop-2-enoate
CID 67041801
[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
CID 71653547
carbonic acid;2-phenylethenamine
CID 173134813
cinnamylidene-ethyl-phenylazanium;fluoro(hydroxy)phosphinate;fluorophosphonic acid
CID 173031516
[(1E,3E)-3-chloro-4-dichlorophosphorylbuta-1,3-dienyl]benzene
CID 11243005

Frequently Asked Questions

What is the IUPAC name of lithium hydroxy(2-phenylethenyl)phosphinate?
The IUPAC name of lithium hydroxy(2-phenylethenyl)phosphinate (CID 162120462) is lithium hydroxy(2-phenylethenyl)phosphinate.
What is the SMILES notation for lithium hydroxy(2-phenylethenyl)phosphinate?
The canonical SMILES for lithium hydroxy(2-phenylethenyl)phosphinate is O=P([O-])(O)C=Cc1ccccc1.[Li+].
What is the InChIKey of lithium hydroxy(2-phenylethenyl)phosphinate?
The InChIKey is ZHIMKLLZTOHQRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9O3P.Li/c9-12(10,11)7-6-8-4-2-1-3-5-8;/h1-7H,(H2,9,10,11);/q;+1/p-1.
What are the key properties of lithium hydroxy(2-phenylethenyl)phosphinate?
lithium hydroxy(2-phenylethenyl)phosphinate has a molecular weight of 190.06 g/mol, XLogP of -1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hydroxy(2-phenylethenyl)phosphinate is sourced from PubChem (CID 162120462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).