lithium methoxybenzene

C7H7LiO — CID 11062341

IUPAClithium methoxybenzene
SMILESCOc1[c-]cccc1.[Li+]
InChIInChI=1S/C7H7O.Li/c1-8-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;+1
InChIKeyPFCFKYSBIQBHAO-UHFFFAOYSA-N
MW114.07 g/mol
LogP-1.50
Rot. Bonds1

About lithium methoxybenzene

lithium methoxybenzene (PubChem CID 11062341) has the molecular formula C7H7LiO and a molecular weight of 114.07 g/mol. Its IUPAC name is lithium methoxybenzene.

Molecular Properties

Compound Namelithium methoxybenzene
PubChem CID11062341
Molecular FormulaC7H7LiO
Molecular Weight114.07 g/mol
Exact Mass114.07
IUPAC Namelithium methoxybenzene
SMILESCOc1[c-]cccc1.[Li+]
InChIInChI=1S/C7H7O.Li/c1-8-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;+1
InChIKeyPFCFKYSBIQBHAO-UHFFFAOYSA-N
XLogP-1.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 5-1.50
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 methoxybenzene?
The IUPAC name of lithium methoxybenzene (CID 11062341) is lithium methoxybenzene.
What is the SMILES notation for lithium methoxybenzene?
The canonical SMILES for lithium methoxybenzene is COc1[c-]cccc1.[Li+].
What is the InChIKey of lithium methoxybenzene?
The InChIKey is PFCFKYSBIQBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.Li/c1-8-7-5-3-2-4-6-7;/h2-5H,1H3;/q-1;+1.
What are the key properties of lithium methoxybenzene?
lithium methoxybenzene has a molecular weight of 114.07 g/mol, XLogP of -1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium methoxybenzene is sourced from PubChem (CID 11062341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).