Sodium phenoxide

C6H6NaO — CID 66602278

IUPAC—
SMILESOc1ccccc1.[Na]
InChIInChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;
InChIKeyPYOZTOXFQNWBIS-UHFFFAOYSA-N
MW117.10 g/mol
LogP1.01
Rot. Bonds

About Sodium phenoxide

Sodium phenoxide (PubChem CID 66602278) has the molecular formula C6H6NaO and a molecular weight of 117.10 g/mol.

Molecular Properties

Compound NameSodium phenoxide
PubChem CID66602278
Molecular FormulaC6H6NaO
Molecular Weight117.10 g/mol
Exact Mass117.03
IUPAC Name—
SMILESOc1ccccc1.[Na]
InChIInChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;
InChIKeyPYOZTOXFQNWBIS-UHFFFAOYSA-N
XLogP1.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Catechol
CID 289
P-Cresol
CID 2879
Resorcinol
CID 5054
4-Chlorophenol
CID 4684
Phloroglucinol
CID 359
3-Chlorophenol
CID 7933
Phenolate Sodium
CID 4445035
4-Vinylphenol
CID 62453
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894

Frequently Asked Questions

What is the IUPAC name of Sodium phenoxide?
The IUPAC name of Sodium phenoxide (CID 66602278) is not available.
What is the SMILES notation for Sodium phenoxide?
The canonical SMILES for Sodium phenoxide is Oc1ccccc1.[Na].
What is the InChIKey of Sodium phenoxide?
The InChIKey is PYOZTOXFQNWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;.
What are the key properties of Sodium phenoxide?
Sodium phenoxide has a molecular weight of 117.10 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium phenoxide is sourced from PubChem (CID 66602278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).