sodium 4-(4-hydroxyphenyl)phenolate

C12H9NaO2 — CID 23684608

IUPACsodium 4-(4-hydroxyphenyl)phenolate
SMILES[Na+].[O-]c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.Na/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8,13-14H;/q;+1/p-1
InChIKeyXPFZNHSLPJKFAS-UHFFFAOYSA-M
MW208.19 g/mol
LogP-0.86
Rot. Bonds1

About sodium 4-(4-hydroxyphenyl)phenolate

sodium 4-(4-hydroxyphenyl)phenolate (PubChem CID 23684608) has the molecular formula C12H9NaO2 and a molecular weight of 208.19 g/mol. Its IUPAC name is sodium 4-(4-hydroxyphenyl)phenolate.

Molecular Properties

Compound Namesodium 4-(4-hydroxyphenyl)phenolate
PubChem CID23684608
Molecular FormulaC12H9NaO2
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namesodium 4-(4-hydroxyphenyl)phenolate
SMILES[Na+].[O-]c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C12H10O2.Na/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8,13-14H;/q;+1/p-1
InChIKeyXPFZNHSLPJKFAS-UHFFFAOYSA-M
XLogP-0.86
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze sodium 4-(4-hydroxyphenyl)phenolate 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 sodium 4-(4-hydroxyphenyl)phenolate?
The IUPAC name of sodium 4-(4-hydroxyphenyl)phenolate (CID 23684608) is sodium 4-(4-hydroxyphenyl)phenolate.
What is the SMILES notation for sodium 4-(4-hydroxyphenyl)phenolate?
The canonical SMILES for sodium 4-(4-hydroxyphenyl)phenolate is [Na+].[O-]c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of sodium 4-(4-hydroxyphenyl)phenolate?
The InChIKey is XPFZNHSLPJKFAS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.Na/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8,13-14H;/q;+1/p-1.
What are the key properties of sodium 4-(4-hydroxyphenyl)phenolate?
sodium 4-(4-hydroxyphenyl)phenolate has a molecular weight of 208.19 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(4-hydroxyphenyl)phenolate is sourced from PubChem (CID 23684608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).