2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid

C16H14O6 — CID 2173682

IUPAC2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCOc1ccccc1C(=O)O
InChIInChI=1S/C16H14O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyXAIPIJFEACIWEQ-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.54
Rot. Bonds7

About 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid

2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid (PubChem CID 2173682) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid
PubChem CID2173682
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCCOc1ccccc1C(=O)O
InChIInChI=1S/C16H14O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKeyXAIPIJFEACIWEQ-UHFFFAOYSA-N
XLogP2.54
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid (CID 2173682) is 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid is O=C(O)c1ccccc1OCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid?
The InChIKey is XAIPIJFEACIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid?
2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid has a molecular weight of 302.28 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-carboxyphenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 2173682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).