sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate

C15H10ClNaO4 — CID 178200902

IUPACsodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
SMILESO=C([O-])COc1ccc(C(=O)c2ccccc2Cl)cc1.[Na+]
InChIInChI=1S/C15H11ClO4.Na/c16-13-4-2-1-3-12(13)15(19)10-5-7-11(8-6-10)20-9-14(17)18;/h1-8H,9H2,(H,17,18);/q;+1/p-1
InChIKeyPJNQXDOAFMJIJA-UHFFFAOYSA-M
MW312.68 g/mol
LogP-1.30
Rot. Bonds5

About sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate

sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate (PubChem CID 178200902) has the molecular formula C15H10ClNaO4 and a molecular weight of 312.68 g/mol. Its IUPAC name is sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate.

Molecular Properties

Compound Namesodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
PubChem CID178200902
Molecular FormulaC15H10ClNaO4
Molecular Weight312.68 g/mol
Exact Mass312.02
IUPAC Namesodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
SMILESO=C([O-])COc1ccc(C(=O)c2ccccc2Cl)cc1.[Na+]
InChIInChI=1S/C15H11ClO4.Na/c16-13-4-2-1-3-12(13)15(19)10-5-7-11(8-6-10)20-9-14(17)18;/h1-8H,9H2,(H,17,18);/q;+1/p-1
InChIKeyPJNQXDOAFMJIJA-UHFFFAOYSA-M
XLogP-1.30
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate?
The IUPAC name of sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate (CID 178200902) is sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate.
What is the SMILES notation for sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate?
The canonical SMILES for sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate is O=C([O-])COc1ccc(C(=O)c2ccccc2Cl)cc1.[Na+].
What is the InChIKey of sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate?
The InChIKey is PJNQXDOAFMJIJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11ClO4.Na/c16-13-4-2-1-3-12(13)15(19)10-5-7-11(8-6-10)20-9-14(17)18;/h1-8H,9H2,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate?
sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate has a molecular weight of 312.68 g/mol, XLogP of -1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate is sourced from PubChem (CID 178200902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).