dilithium diphenoxide

C12H10Li2O2 — CID 22167155

IUPACdilithium diphenoxide
SMILES[Li+].[Li+].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/2C6H6O.2Li/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;/q;;2*+1/p-2
InChIKeyZDPOWKYUIAUPLP-UHFFFAOYSA-L
MW200.09 g/mol
LogP-4.47
Rot. Bonds

About dilithium diphenoxide

dilithium diphenoxide (PubChem CID 22167155) has the molecular formula C12H10Li2O2 and a molecular weight of 200.09 g/mol. Its IUPAC name is dilithium diphenoxide.

Molecular Properties

Compound Namedilithium diphenoxide
PubChem CID22167155
Molecular FormulaC12H10Li2O2
Molecular Weight200.09 g/mol
Exact Mass200.10
IUPAC Namedilithium diphenoxide
SMILES[Li+].[Li+].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/2C6H6O.2Li/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;/q;;2*+1/p-2
InChIKeyZDPOWKYUIAUPLP-UHFFFAOYSA-L
XLogP-4.47
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dilithium diphenoxide?
The IUPAC name of dilithium diphenoxide (CID 22167155) is dilithium diphenoxide.
What is the SMILES notation for dilithium diphenoxide?
The canonical SMILES for dilithium diphenoxide is [Li+].[Li+].[O-]c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of dilithium diphenoxide?
The InChIKey is ZDPOWKYUIAUPLP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.2Li/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;/q;;2*+1/p-2.
What are the key properties of dilithium diphenoxide?
dilithium diphenoxide has a molecular weight of 200.09 g/mol, XLogP of -4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium diphenoxide is sourced from PubChem (CID 22167155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).