lithium 8-methoxy-1H-naphthalen-1-ide

C11H9LiO — CID 13417963

IUPAClithium 8-methoxy-1H-naphthalen-1-ide
SMILESCOc1cccc2ccc[c-]c12.[Li+]
InChIInChI=1S/C11H9O.Li/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;/h2-6,8H,1H3;/q-1;+1
InChIKeyXMMQYVXODQMVPH-UHFFFAOYSA-N
MW164.13 g/mol
LogP-0.35
Rot. Bonds1

About lithium 8-methoxy-1H-naphthalen-1-ide

lithium 8-methoxy-1H-naphthalen-1-ide (PubChem CID 13417963) has the molecular formula C11H9LiO and a molecular weight of 164.13 g/mol. Its IUPAC name is lithium 8-methoxy-1H-naphthalen-1-ide.

Molecular Properties

Compound Namelithium 8-methoxy-1H-naphthalen-1-ide
PubChem CID13417963
Molecular FormulaC11H9LiO
Molecular Weight164.13 g/mol
Exact Mass164.08
IUPAC Namelithium 8-methoxy-1H-naphthalen-1-ide
SMILESCOc1cccc2ccc[c-]c12.[Li+]
InChIInChI=1S/C11H9O.Li/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;/h2-6,8H,1H3;/q-1;+1
InChIKeyXMMQYVXODQMVPH-UHFFFAOYSA-N
XLogP-0.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium 8-methoxy-1H-naphthalen-1-ide 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

lithium 8-naphthalen-1-yl-1H-naphthalen-1-ide
CID 177406030
2,6-dimethoxyaniline;ethane
CID 145233133
8-(trifluoromethyl)-1H-naphthalen-1-ide;yttrium
CID 166533772
2-chloro-6-methoxybenzenethiol
CID 91874124
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
4-methoxy-2-benzofuran
CID 21318708
2,6-dimethoxybenzenesulfonyl chloride;ethane
CID 155744790
methanol;1-methoxynaphthalene;neptunium
CID 157299455
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
2-iodo-7-methoxy-1-benzofuran
CID 147263066

Frequently Asked Questions

What is the IUPAC name of lithium 8-methoxy-1H-naphthalen-1-ide?
The IUPAC name of lithium 8-methoxy-1H-naphthalen-1-ide (CID 13417963) is lithium 8-methoxy-1H-naphthalen-1-ide.
What is the SMILES notation for lithium 8-methoxy-1H-naphthalen-1-ide?
The canonical SMILES for lithium 8-methoxy-1H-naphthalen-1-ide is COc1cccc2ccc[c-]c12.[Li+].
What is the InChIKey of lithium 8-methoxy-1H-naphthalen-1-ide?
The InChIKey is XMMQYVXODQMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O.Li/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;/h2-6,8H,1H3;/q-1;+1.
What are the key properties of lithium 8-methoxy-1H-naphthalen-1-ide?
lithium 8-methoxy-1H-naphthalen-1-ide has a molecular weight of 164.13 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 8-methoxy-1H-naphthalen-1-ide is sourced from PubChem (CID 13417963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).