lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid

C10H14LiO4P — CID 175208689

IUPAClithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
SMILESCc1cc(C)c(C(=O)P(=O)(O)O)c(C)c1.[H-].[Li+]
InChIInChI=1S/C10H13O4P.Li.H/c1-6-4-7(2)9(8(3)5-6)10(11)15(12,13)14;;/h4-5H,1-3H3,(H2,12,13,14);;/q;+1;-1
InChIKeyGKVIIMVUPMYNTP-UHFFFAOYSA-N
MW236.13 g/mol
LogP-0.95
Rot. Bonds2

About lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid

lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid (PubChem CID 175208689) has the molecular formula C10H14LiO4P and a molecular weight of 236.13 g/mol. Its IUPAC name is lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid.

Molecular Properties

Compound Namelithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
PubChem CID175208689
Molecular FormulaC10H14LiO4P
Molecular Weight236.13 g/mol
Exact Mass236.08
IUPAC Namelithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
SMILESCc1cc(C)c(C(=O)P(=O)(O)O)c(C)c1.[H-].[Li+]
InChIInChI=1S/C10H13O4P.Li.H/c1-6-4-7(2)9(8(3)5-6)10(11)15(12,13)14;;/h4-5H,1-3H3,(H2,12,13,14);;/q;+1;-1
InChIKeyGKVIIMVUPMYNTP-UHFFFAOYSA-N
XLogP-0.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic 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

[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240714
lithium;hydride;hydron;phosphono 2,4,6-trimethylbenzoate
CID 175284215
bis-(4-methylphenyl)sulfonylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 149399389
[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 125497314
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[methyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 59218785
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid?
The IUPAC name of lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid (CID 175208689) is lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid.
What is the SMILES notation for lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid?
The canonical SMILES for lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid is Cc1cc(C)c(C(=O)P(=O)(O)O)c(C)c1.[H-].[Li+].
What is the InChIKey of lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid?
The InChIKey is GKVIIMVUPMYNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4P.Li.H/c1-6-4-7(2)9(8(3)5-6)10(11)15(12,13)14;;/h4-5H,1-3H3,(H2,12,13,14);;/q;+1;-1.
What are the key properties of lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid?
lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid has a molecular weight of 236.13 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid is sourced from PubChem (CID 175208689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).