dilithium;1-(phenoxy)ethoxybenzene

C14H12Li2O2 — CID 154137184

IUPACdilithium;1-(phenoxy)ethoxybenzene
SMILESCC(Oc1[c-]cccc1)Oc1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C14H12O2.2Li/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;;/h2-8,10,12H,1H3;;/q-2;2*+1
InChIKeyPNOJGSVKWNPLAV-UHFFFAOYSA-N
MW226.13 g/mol
LogP-2.90
Rot. Bonds4

About dilithium;1-(phenoxy)ethoxybenzene

dilithium;1-(phenoxy)ethoxybenzene (PubChem CID 154137184) has the molecular formula C14H12Li2O2 and a molecular weight of 226.13 g/mol. Its IUPAC name is dilithium;1-(phenoxy)ethoxybenzene.

Molecular Properties

Compound Namedilithium;1-(phenoxy)ethoxybenzene
PubChem CID154137184
Molecular FormulaC14H12Li2O2
Molecular Weight226.13 g/mol
Exact Mass226.12
IUPAC Namedilithium;1-(phenoxy)ethoxybenzene
SMILESCC(Oc1[c-]cccc1)Oc1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C14H12O2.2Li/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;;/h2-8,10,12H,1H3;;/q-2;2*+1
InChIKeyPNOJGSVKWNPLAV-UHFFFAOYSA-N
XLogP-2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dilithium;1-(phenoxy)ethoxybenzene?
The IUPAC name of dilithium;1-(phenoxy)ethoxybenzene (CID 154137184) is dilithium;1-(phenoxy)ethoxybenzene.
What is the SMILES notation for dilithium;1-(phenoxy)ethoxybenzene?
The canonical SMILES for dilithium;1-(phenoxy)ethoxybenzene is CC(Oc1[c-]cccc1)Oc1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;1-(phenoxy)ethoxybenzene?
The InChIKey is PNOJGSVKWNPLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.2Li/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14;;/h2-8,10,12H,1H3;;/q-2;2*+1.
What are the key properties of dilithium;1-(phenoxy)ethoxybenzene?
dilithium;1-(phenoxy)ethoxybenzene has a molecular weight of 226.13 g/mol, XLogP of -2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-(phenoxy)ethoxybenzene is sourced from PubChem (CID 154137184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).