lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide

C9H11LiO3 — CID 14931282

IUPAClithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide
SMILESCOCOc1[c-]cc(OC)cc1.[Li+]
InChIInChI=1S/C9H11O3.Li/c1-10-7-12-9-5-3-8(11-2)4-6-9;/h3-5H,7H2,1-2H3;/q-1;+1
InChIKeyFNIIVNZLSWCSSP-UHFFFAOYSA-N
MW174.12 g/mol
LogP-1.52
Rot. Bonds4

About lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide

lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide (PubChem CID 14931282) has the molecular formula C9H11LiO3 and a molecular weight of 174.12 g/mol. Its IUPAC name is lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide.

Molecular Properties

Compound Namelithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide
PubChem CID14931282
Molecular FormulaC9H11LiO3
Molecular Weight174.12 g/mol
Exact Mass174.09
IUPAC Namelithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide
SMILESCOCOc1[c-]cc(OC)cc1.[Li+]
InChIInChI=1S/C9H11O3.Li/c1-10-7-12-9-5-3-8(11-2)4-6-9;/h3-5H,7H2,1-2H3;/q-1;+1
InChIKeyFNIIVNZLSWCSSP-UHFFFAOYSA-N
XLogP-1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide?
The IUPAC name of lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide (CID 14931282) is lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide.
What is the SMILES notation for lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide?
The canonical SMILES for lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide is COCOc1[c-]cc(OC)cc1.[Li+].
What is the InChIKey of lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide?
The InChIKey is FNIIVNZLSWCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O3.Li/c1-10-7-12-9-5-3-8(11-2)4-6-9;/h3-5H,7H2,1-2H3;/q-1;+1.
What are the key properties of lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide?
lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide has a molecular weight of 174.12 g/mol, XLogP of -1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methoxy-4-(methoxymethoxy)benzene-5-ide is sourced from PubChem (CID 14931282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).