sodium 2-phenylphenolate

C12H9NaO — CID 23675735

IUPACsodium 2-phenylphenolate
SMILES[Na+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1
InChIKeyKSQXVLVXUFHGJQ-UHFFFAOYSA-M
MW192.19 g/mol
LogP-0.57
Rot. Bonds1

About sodium 2-phenylphenolate

sodium 2-phenylphenolate (PubChem CID 23675735) has the molecular formula C12H9NaO and a molecular weight of 192.19 g/mol. Its IUPAC name is sodium 2-phenylphenolate.

Molecular Properties

Compound Namesodium 2-phenylphenolate
PubChem CID23675735
Molecular FormulaC12H9NaO
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Namesodium 2-phenylphenolate
SMILES[Na+].[O-]c1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1
InChIKeyKSQXVLVXUFHGJQ-UHFFFAOYSA-M
XLogP-0.57
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 2-phenylphenolate?
The IUPAC name of sodium 2-phenylphenolate (CID 23675735) is sodium 2-phenylphenolate.
What is the SMILES notation for sodium 2-phenylphenolate?
The canonical SMILES for sodium 2-phenylphenolate is [Na+].[O-]c1ccccc1-c1ccccc1.
What is the InChIKey of sodium 2-phenylphenolate?
The InChIKey is KSQXVLVXUFHGJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1.
What are the key properties of sodium 2-phenylphenolate?
sodium 2-phenylphenolate has a molecular weight of 192.19 g/mol, XLogP of -0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-phenylphenolate is sourced from PubChem (CID 23675735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).