sodium 2-naphthalen-1-ylacetate

C12H9NaO2 — CID 23694671

IUPACsodium 2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12.[Na+]
InChIInChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyCJUUXVFWKYRHAR-UHFFFAOYSA-M
MW208.19 g/mol
LogP-1.86
Rot. Bonds2

About sodium 2-naphthalen-1-ylacetate

sodium 2-naphthalen-1-ylacetate (PubChem CID 23694671) has the molecular formula C12H9NaO2 and a molecular weight of 208.19 g/mol. Its IUPAC name is sodium 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Namesodium 2-naphthalen-1-ylacetate
PubChem CID23694671
Molecular FormulaC12H9NaO2
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namesodium 2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12.[Na+]
InChIInChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyCJUUXVFWKYRHAR-UHFFFAOYSA-M
XLogP-1.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium 2-naphthalen-1-ylacetate 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 2-naphthalen-1-ylacetate?
The IUPAC name of sodium 2-naphthalen-1-ylacetate (CID 23694671) is sodium 2-naphthalen-1-ylacetate.
What is the SMILES notation for sodium 2-naphthalen-1-ylacetate?
The canonical SMILES for sodium 2-naphthalen-1-ylacetate is O=C([O-])Cc1cccc2ccccc12.[Na+].
What is the InChIKey of sodium 2-naphthalen-1-ylacetate?
The InChIKey is CJUUXVFWKYRHAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.Na/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-naphthalen-1-ylacetate?
sodium 2-naphthalen-1-ylacetate has a molecular weight of 208.19 g/mol, XLogP of -1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-naphthalen-1-ylacetate is sourced from PubChem (CID 23694671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).