lithium;carbanide;2-(4-methylphenyl)acetic acid

C10H13LiO2 — CID 161212911

IUPAClithium;carbanide;2-(4-methylphenyl)acetic acid
SMILESCc1ccc(CC(=O)O)cc1.[CH3-].[Li+]
InChIInChI=1S/C9H10O2.CH3.Li/c1-7-2-4-8(5-3-7)6-9(10)11;;/h2-5H,6H2,1H3,(H,10,11);1H3;/q;-1;+1
InChIKeyXTPODRDJMARIGR-UHFFFAOYSA-N
MW172.15 g/mol
LogP-0.92
Rot. Bonds2

About lithium;carbanide;2-(4-methylphenyl)acetic acid

lithium;carbanide;2-(4-methylphenyl)acetic acid (PubChem CID 161212911) has the molecular formula C10H13LiO2 and a molecular weight of 172.15 g/mol. Its IUPAC name is lithium;carbanide;2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Namelithium;carbanide;2-(4-methylphenyl)acetic acid
PubChem CID161212911
Molecular FormulaC10H13LiO2
Molecular Weight172.15 g/mol
Exact Mass172.11
IUPAC Namelithium;carbanide;2-(4-methylphenyl)acetic acid
SMILESCc1ccc(CC(=O)O)cc1.[CH3-].[Li+]
InChIInChI=1S/C9H10O2.CH3.Li/c1-7-2-4-8(5-3-7)6-9(10)11;;/h2-5H,6H2,1H3,(H,10,11);1H3;/q;-1;+1
InChIKeyXTPODRDJMARIGR-UHFFFAOYSA-N
XLogP-0.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium;carbanide;2-(4-methylphenyl)acetic 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

2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)acetyl chloride
CID 88841488
2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345550
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(4-methylphenyl)propan-2-one;toluene
CID 23164694
2-[4-(ethylsulfonylmethyl)phenyl]acetic acid
CID 105345558
2-(4-sulfophenyl)acetic acid
CID 5205069
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865

Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;2-(4-methylphenyl)acetic acid?
The IUPAC name of lithium;carbanide;2-(4-methylphenyl)acetic acid (CID 161212911) is lithium;carbanide;2-(4-methylphenyl)acetic acid.
What is the SMILES notation for lithium;carbanide;2-(4-methylphenyl)acetic acid?
The canonical SMILES for lithium;carbanide;2-(4-methylphenyl)acetic acid is Cc1ccc(CC(=O)O)cc1.[CH3-].[Li+].
What is the InChIKey of lithium;carbanide;2-(4-methylphenyl)acetic acid?
The InChIKey is XTPODRDJMARIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.CH3.Li/c1-7-2-4-8(5-3-7)6-9(10)11;;/h2-5H,6H2,1H3,(H,10,11);1H3;/q;-1;+1.
What are the key properties of lithium;carbanide;2-(4-methylphenyl)acetic acid?
lithium;carbanide;2-(4-methylphenyl)acetic acid has a molecular weight of 172.15 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 161212911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).