sodium;2-phenylphenolate;tetrahydrate

C12H17NaO5 — CID 517383

IUPACsodium;2-phenylphenolate;tetrahydrate
SMILESO.O.O.O.[Na+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.Na.4H2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;;/h1-9,13H;;4*1H2/q;+1;;;;/p-1
InChIKeySEVSIOOUCUTMMP-UHFFFAOYSA-M
MW264.25 g/mol
LogP-3.87
Rot. Bonds1

About sodium;2-phenylphenolate;tetrahydrate

sodium;2-phenylphenolate;tetrahydrate (PubChem CID 517383) has the molecular formula C12H17NaO5 and a molecular weight of 264.25 g/mol. Its IUPAC name is sodium;2-phenylphenolate;tetrahydrate.

Molecular Properties

Compound Namesodium;2-phenylphenolate;tetrahydrate
PubChem CID517383
Molecular FormulaC12H17NaO5
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Namesodium;2-phenylphenolate;tetrahydrate
SMILESO.O.O.O.[Na+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.Na.4H2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;;/h1-9,13H;;4*1H2/q;+1;;;;/p-1
InChIKeySEVSIOOUCUTMMP-UHFFFAOYSA-M
XLogP-3.87
TPSA149.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-3.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;2-phenylphenolate;tetrahydrate?
The IUPAC name of sodium;2-phenylphenolate;tetrahydrate (CID 517383) is sodium;2-phenylphenolate;tetrahydrate.
What is the SMILES notation for sodium;2-phenylphenolate;tetrahydrate?
The canonical SMILES for sodium;2-phenylphenolate;tetrahydrate is O.O.O.O.[Na+].[O-]c1ccccc1-c1ccccc1.
What is the InChIKey of sodium;2-phenylphenolate;tetrahydrate?
The InChIKey is SEVSIOOUCUTMMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O.Na.4H2O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;;/h1-9,13H;;4*1H2/q;+1;;;;/p-1.
What are the key properties of sodium;2-phenylphenolate;tetrahydrate?
sodium;2-phenylphenolate;tetrahydrate has a molecular weight of 264.25 g/mol, XLogP of -3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-phenylphenolate;tetrahydrate is sourced from PubChem (CID 517383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).