lithium 4-chlorophenolate

C6H4ClLiO — CID 23661843

IUPAClithium 4-chlorophenolate
SMILES[Li+].[O-]c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.Li/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKeyRGZKHWXRHNRCJY-UHFFFAOYSA-M
MW134.49 g/mol
LogP-1.58
Rot. Bonds

About lithium 4-chlorophenolate

lithium 4-chlorophenolate (PubChem CID 23661843) has the molecular formula C6H4ClLiO and a molecular weight of 134.49 g/mol. Its IUPAC name is lithium 4-chlorophenolate.

Molecular Properties

Compound Namelithium 4-chlorophenolate
PubChem CID23661843
Molecular FormulaC6H4ClLiO
Molecular Weight134.49 g/mol
Exact Mass134.01
IUPAC Namelithium 4-chlorophenolate
SMILES[Li+].[O-]c1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.Li/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1
InChIKeyRGZKHWXRHNRCJY-UHFFFAOYSA-M
XLogP-1.58
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.49
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 4-chlorophenolate?
The IUPAC name of lithium 4-chlorophenolate (CID 23661843) is lithium 4-chlorophenolate.
What is the SMILES notation for lithium 4-chlorophenolate?
The canonical SMILES for lithium 4-chlorophenolate is [Li+].[O-]c1ccc(Cl)cc1.
What is the InChIKey of lithium 4-chlorophenolate?
The InChIKey is RGZKHWXRHNRCJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO.Li/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+1/p-1.
What are the key properties of lithium 4-chlorophenolate?
lithium 4-chlorophenolate has a molecular weight of 134.49 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-chlorophenolate is sourced from PubChem (CID 23661843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).