lithium 2-(4-methylphenoxy)acetate

C9H9LiO3 — CID 19205665

IUPAClithium 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)[O-])cc1.[Li+]
InChIInChI=1S/C9H10O3.Li/c1-7-2-4-8(5-3-7)12-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyOJGNUTHYYVKKTN-UHFFFAOYSA-M
MW172.11 g/mol
LogP-2.87
Rot. Bonds3

About lithium 2-(4-methylphenoxy)acetate

lithium 2-(4-methylphenoxy)acetate (PubChem CID 19205665) has the molecular formula C9H9LiO3 and a molecular weight of 172.11 g/mol. Its IUPAC name is lithium 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Namelithium 2-(4-methylphenoxy)acetate
PubChem CID19205665
Molecular FormulaC9H9LiO3
Molecular Weight172.11 g/mol
Exact Mass172.07
IUPAC Namelithium 2-(4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)[O-])cc1.[Li+]
InChIInChI=1S/C9H10O3.Li/c1-7-2-4-8(5-3-7)12-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyOJGNUTHYYVKKTN-UHFFFAOYSA-M
XLogP-2.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 5-2.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azanium 2-(4-chlorophenoxy)acetate
CID 142591022
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
potassium 4-(4-methylphenoxy)butanoate
CID 19205465
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
2-[4-[(E)-[(4-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetate
CID 6876114
2-[4-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]phenoxy]acetate
CID 23134391
2-[4-[(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]phenoxy]acetate
CID 7812148
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
lithium;methanidylbenzene;2-(4-methylphenoxy)acetic acid
CID 161400826
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692

Frequently Asked Questions

What is the IUPAC name of lithium 2-(4-methylphenoxy)acetate?
The IUPAC name of lithium 2-(4-methylphenoxy)acetate (CID 19205665) is lithium 2-(4-methylphenoxy)acetate.
What is the SMILES notation for lithium 2-(4-methylphenoxy)acetate?
The canonical SMILES for lithium 2-(4-methylphenoxy)acetate is Cc1ccc(OCC(=O)[O-])cc1.[Li+].
What is the InChIKey of lithium 2-(4-methylphenoxy)acetate?
The InChIKey is OJGNUTHYYVKKTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3.Li/c1-7-2-4-8(5-3-7)12-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 2-(4-methylphenoxy)acetate?
lithium 2-(4-methylphenoxy)acetate has a molecular weight of 172.11 g/mol, XLogP of -2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 19205665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).