lithium 1-chloro-4-methoxybenzene-5-ide

C7H6ClLiO — CID 13290606

IUPAClithium 1-chloro-4-methoxybenzene-5-ide
SMILESCOc1[c-]cc(Cl)cc1.[Li+]
InChIInChI=1S/C7H6ClO.Li/c1-9-7-4-2-6(8)3-5-7;/h2-4H,1H3;/q-1;+1
InChIKeyQIZRXEBPNOUJQS-UHFFFAOYSA-N
MW148.52 g/mol
LogP-0.85
Rot. Bonds1

About lithium 1-chloro-4-methoxybenzene-5-ide

lithium 1-chloro-4-methoxybenzene-5-ide (PubChem CID 13290606) has the molecular formula C7H6ClLiO and a molecular weight of 148.52 g/mol. Its IUPAC name is lithium 1-chloro-4-methoxybenzene-5-ide.

Molecular Properties

Compound Namelithium 1-chloro-4-methoxybenzene-5-ide
PubChem CID13290606
Molecular FormulaC7H6ClLiO
Molecular Weight148.52 g/mol
Exact Mass148.03
IUPAC Namelithium 1-chloro-4-methoxybenzene-5-ide
SMILESCOc1[c-]cc(Cl)cc1.[Li+]
InChIInChI=1S/C7H6ClO.Li/c1-9-7-4-2-6(8)3-5-7;/h2-4H,1H3;/q-1;+1
InChIKeyQIZRXEBPNOUJQS-UHFFFAOYSA-N
XLogP-0.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.52
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 1-chloro-4-methoxybenzene-5-ide?
The IUPAC name of lithium 1-chloro-4-methoxybenzene-5-ide (CID 13290606) is lithium 1-chloro-4-methoxybenzene-5-ide.
What is the SMILES notation for lithium 1-chloro-4-methoxybenzene-5-ide?
The canonical SMILES for lithium 1-chloro-4-methoxybenzene-5-ide is COc1[c-]cc(Cl)cc1.[Li+].
What is the InChIKey of lithium 1-chloro-4-methoxybenzene-5-ide?
The InChIKey is QIZRXEBPNOUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClO.Li/c1-9-7-4-2-6(8)3-5-7;/h2-4H,1H3;/q-1;+1.
What are the key properties of lithium 1-chloro-4-methoxybenzene-5-ide?
lithium 1-chloro-4-methoxybenzene-5-ide has a molecular weight of 148.52 g/mol, XLogP of -0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-chloro-4-methoxybenzene-5-ide is sourced from PubChem (CID 13290606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).