lithium phenoxide

C6H5LiO — CID 11815295

IUPAClithium phenoxide
SMILES[Li+].[O-]c1ccccc1
InChIInChI=1S/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChIKeyXAVQZBGEXVFCJI-UHFFFAOYSA-M
MW100.05 g/mol
LogP-2.24
Rot. Bonds

About lithium phenoxide

lithium phenoxide (PubChem CID 11815295) has the molecular formula C6H5LiO and a molecular weight of 100.05 g/mol. Its IUPAC name is lithium phenoxide.

Molecular Properties

Compound Namelithium phenoxide
PubChem CID11815295
Molecular FormulaC6H5LiO
Molecular Weight100.05 g/mol
Exact Mass100.05
IUPAC Namelithium phenoxide
SMILES[Li+].[O-]c1ccccc1
InChIInChI=1S/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChIKeyXAVQZBGEXVFCJI-UHFFFAOYSA-M
XLogP-2.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.05
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium phenoxide?
The IUPAC name of lithium phenoxide (CID 11815295) is lithium phenoxide.
What is the SMILES notation for lithium phenoxide?
The canonical SMILES for lithium phenoxide is [Li+].[O-]c1ccccc1.
What is the InChIKey of lithium phenoxide?
The InChIKey is XAVQZBGEXVFCJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1.
What are the key properties of lithium phenoxide?
lithium phenoxide has a molecular weight of 100.05 g/mol, XLogP of -2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenoxide is sourced from PubChem (CID 11815295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).