lithium;ethane;(4-ethenylphenyl)methylphosphonic acid

C11H16LiO3P — CID 88775368

IUPAClithium;ethane;(4-ethenylphenyl)methylphosphonic acid
SMILESC=Cc1ccc(CP(=O)(O)O)cc1.[CH2-]C.[Li+]
InChIInChI=1S/C9H11O3P.C2H5.Li/c1-2-8-3-5-9(6-4-8)7-13(10,11)12;1-2;/h2-6H,1,7H2,(H2,10,11,12);1H2,2H3;/q;-1;+1
InChIKeyPRSGGUZZWPXHGL-UHFFFAOYSA-N
MW234.16 g/mol
LogP-0.15
Rot. Bonds3

About lithium;ethane;(4-ethenylphenyl)methylphosphonic acid

lithium;ethane;(4-ethenylphenyl)methylphosphonic acid (PubChem CID 88775368) has the molecular formula C11H16LiO3P and a molecular weight of 234.16 g/mol. Its IUPAC name is lithium;ethane;(4-ethenylphenyl)methylphosphonic acid.

Molecular Properties

Compound Namelithium;ethane;(4-ethenylphenyl)methylphosphonic acid
PubChem CID88775368
Molecular FormulaC11H16LiO3P
Molecular Weight234.16 g/mol
Exact Mass234.10
IUPAC Namelithium;ethane;(4-ethenylphenyl)methylphosphonic acid
SMILESC=Cc1ccc(CP(=O)(O)O)cc1.[CH2-]C.[Li+]
InChIInChI=1S/C9H11O3P.C2H5.Li/c1-2-8-3-5-9(6-4-8)7-13(10,11)12;1-2;/h2-6H,1,7H2,(H2,10,11,12);1H2,2H3;/q;-1;+1
InChIKeyPRSGGUZZWPXHGL-UHFFFAOYSA-N
XLogP-0.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium;ethane;(4-ethenylphenyl)methylphosphonic acid 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

CID 175760078
CID 175760078
2-[bis[(4-ethenylphenyl)methyl]phosphoryl]acetic acid
CID 155797581
(4-methylphenyl)methylphosphonic acid
CID 2773801
[4-(methylamino)phenyl]methylphosphonic acid
CID 70930648
1-ethenyl-4-(ethylsulfonylmethyl)benzene
CID 18998004
1-(4-ethenylphenyl)propan-2-one
CID 70398942
1-ethenyl-4-(3-methylbut-2-enyl)benzene
CID 13229547
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-(2-methylbut-2-enyl)benzene
CID 139941573
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261

Frequently Asked Questions

What is the IUPAC name of lithium;ethane;(4-ethenylphenyl)methylphosphonic acid?
The IUPAC name of lithium;ethane;(4-ethenylphenyl)methylphosphonic acid (CID 88775368) is lithium;ethane;(4-ethenylphenyl)methylphosphonic acid.
What is the SMILES notation for lithium;ethane;(4-ethenylphenyl)methylphosphonic acid?
The canonical SMILES for lithium;ethane;(4-ethenylphenyl)methylphosphonic acid is C=Cc1ccc(CP(=O)(O)O)cc1.[CH2-]C.[Li+].
What is the InChIKey of lithium;ethane;(4-ethenylphenyl)methylphosphonic acid?
The InChIKey is PRSGGUZZWPXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3P.C2H5.Li/c1-2-8-3-5-9(6-4-8)7-13(10,11)12;1-2;/h2-6H,1,7H2,(H2,10,11,12);1H2,2H3;/q;-1;+1.
What are the key properties of lithium;ethane;(4-ethenylphenyl)methylphosphonic acid?
lithium;ethane;(4-ethenylphenyl)methylphosphonic acid has a molecular weight of 234.16 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethane;(4-ethenylphenyl)methylphosphonic acid is sourced from PubChem (CID 88775368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).