lithium ethoxybenzene

C8H9LiO — CID 11948587

IUPAClithium ethoxybenzene
SMILESCCOc1cc[c-]cc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-2-9-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;+1
InChIKeyZANYWYSAGMYFFX-UHFFFAOYSA-N
MW128.10 g/mol
LogP-1.11
Rot. Bonds2

About lithium ethoxybenzene

lithium ethoxybenzene (PubChem CID 11948587) has the molecular formula C8H9LiO and a molecular weight of 128.10 g/mol. Its IUPAC name is lithium ethoxybenzene.

Molecular Properties

Compound Namelithium ethoxybenzene
PubChem CID11948587
Molecular FormulaC8H9LiO
Molecular Weight128.10 g/mol
Exact Mass128.08
IUPAC Namelithium ethoxybenzene
SMILESCCOc1cc[c-]cc1.[Li+]
InChIInChI=1S/C8H9O.Li/c1-2-9-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;+1
InChIKeyZANYWYSAGMYFFX-UHFFFAOYSA-N
XLogP-1.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium ethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium ethoxybenzene?
The IUPAC name of lithium ethoxybenzene (CID 11948587) is lithium ethoxybenzene.
What is the SMILES notation for lithium ethoxybenzene?
The canonical SMILES for lithium ethoxybenzene is CCOc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium ethoxybenzene?
The InChIKey is ZANYWYSAGMYFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O.Li/c1-2-9-8-6-4-3-5-7-8;/h4-7H,2H2,1H3;/q-1;+1.
What are the key properties of lithium ethoxybenzene?
lithium ethoxybenzene has a molecular weight of 128.10 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethoxybenzene is sourced from PubChem (CID 11948587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).