Phenolate Sodium

C6H5NaO — CID 4445035

IUPACsodium phenoxide
SMILESC1=CC=C(C=C1)[O-].[Na+]
InChIInChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChIKeyNESLWCLHZZISNB-UHFFFAOYSA-M
MW116.09 g/mol
LogP—
Rot. Bonds

About Phenolate Sodium

Phenolate Sodium (PubChem CID 4445035) has the molecular formula C6H5NaO and a molecular weight of 116.09 g/mol. Its IUPAC name is sodium phenoxide.

Molecular Properties

Compound NamePhenolate Sodium
PubChem CID4445035
Molecular FormulaC6H5NaO
Molecular Weight116.09 g/mol
Exact Mass116.02
IUPAC Namesodium phenoxide
SMILESC1=CC=C(C=C1)[O-].[Na+]
InChIInChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
InChIKeyNESLWCLHZZISNB-UHFFFAOYSA-M
XLogP—
TPSA23.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity50

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Phenolate Sodium?
The IUPAC name of Phenolate Sodium (CID 4445035) is sodium phenoxide.
What is the SMILES notation for Phenolate Sodium?
The canonical SMILES for Phenolate Sodium is C1=CC=C(C=C1)[O-].[Na+].
What is the InChIKey of Phenolate Sodium?
The InChIKey is NESLWCLHZZISNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1.
What are the key properties of Phenolate Sodium?
Phenolate Sodium has a molecular weight of 116.09 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Phenolate Sodium is sourced from PubChem (CID 4445035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).