disodium diphenoxide

C12H10Na2O2 — CID 15819849

IUPACdisodium diphenoxide
SMILES[Na+].[Na+].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/2C6H6O.2Na/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;/q;;2*+1/p-2
InChIKeyOASFYFTVWALXTH-UHFFFAOYSA-L
MW232.19 g/mol
LogP-4.47
Rot. Bonds

About disodium diphenoxide

disodium diphenoxide (PubChem CID 15819849) has the molecular formula C12H10Na2O2 and a molecular weight of 232.19 g/mol. Its IUPAC name is disodium diphenoxide.

Molecular Properties

Compound Namedisodium diphenoxide
PubChem CID15819849
Molecular FormulaC12H10Na2O2
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Namedisodium diphenoxide
SMILES[Na+].[Na+].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/2C6H6O.2Na/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;/q;;2*+1/p-2
InChIKeyOASFYFTVWALXTH-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 ≤ 500232.19
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze disodium diphenoxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of disodium diphenoxide?
The IUPAC name of disodium diphenoxide (CID 15819849) is disodium diphenoxide.
What is the SMILES notation for disodium diphenoxide?
The canonical SMILES for disodium diphenoxide is [Na+].[Na+].[O-]c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of disodium diphenoxide?
The InChIKey is OASFYFTVWALXTH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H6O.2Na/c2*7-6-4-2-1-3-5-6;;/h2*1-5,7H;;/q;;2*+1/p-2.
What are the key properties of disodium diphenoxide?
disodium diphenoxide has a molecular weight of 232.19 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 disodium diphenoxide is sourced from PubChem (CID 15819849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).