sodium 2-(3-benzoylphenyl)propanoate

C16H13NaO3 — CID 23684815

IUPACsodium 2-(3-benzoylphenyl)propanoate
SMILESCC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[Na+]
InChIInChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1
InChIKeyOAPDLBHLMVYMCW-UHFFFAOYSA-M
MW276.27 g/mol
LogP-1.23
Rot. Bonds4

About sodium 2-(3-benzoylphenyl)propanoate

sodium 2-(3-benzoylphenyl)propanoate (PubChem CID 23684815) has the molecular formula C16H13NaO3 and a molecular weight of 276.27 g/mol. Its IUPAC name is sodium 2-(3-benzoylphenyl)propanoate.

Molecular Properties

Compound Namesodium 2-(3-benzoylphenyl)propanoate
PubChem CID23684815
Molecular FormulaC16H13NaO3
Molecular Weight276.27 g/mol
Exact Mass276.08
IUPAC Namesodium 2-(3-benzoylphenyl)propanoate
SMILESCC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[Na+]
InChIInChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1
InChIKeyOAPDLBHLMVYMCW-UHFFFAOYSA-M
XLogP-1.23
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-benzoylphenyl)propanoate?
The IUPAC name of sodium 2-(3-benzoylphenyl)propanoate (CID 23684815) is sodium 2-(3-benzoylphenyl)propanoate.
What is the SMILES notation for sodium 2-(3-benzoylphenyl)propanoate?
The canonical SMILES for sodium 2-(3-benzoylphenyl)propanoate is CC(C(=O)[O-])c1cccc(C(=O)c2ccccc2)c1.[Na+].
What is the InChIKey of sodium 2-(3-benzoylphenyl)propanoate?
The InChIKey is OAPDLBHLMVYMCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-(3-benzoylphenyl)propanoate?
sodium 2-(3-benzoylphenyl)propanoate has a molecular weight of 276.27 g/mol, XLogP of -1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(3-benzoylphenyl)propanoate is sourced from PubChem (CID 23684815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).