2-(4-aminophenoxy)benzoic acid

C13H11NO3 — CID 2764338

IUPAC2-(4-aminophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccccc2C(=O)O)cc1
InChIInChI=1S/C13H11NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,14H2,(H,15,16)
InChIKeyQHUNNXCUJKOGMN-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-aminophenoxy)benzoic acid

2-(4-aminophenoxy)benzoic acid (PubChem CID 2764338) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(4-aminophenoxy)benzoic acid.

Molecular Properties

Compound Name2-(4-aminophenoxy)benzoic acid
PubChem CID2764338
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-(4-aminophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccccc2C(=O)O)cc1
InChIInChI=1S/C13H11NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,14H2,(H,15,16)
InChIKeyQHUNNXCUJKOGMN-UHFFFAOYSA-N
XLogP2.76
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)benzoic acid?
The IUPAC name of 2-(4-aminophenoxy)benzoic acid (CID 2764338) is 2-(4-aminophenoxy)benzoic acid.
What is the SMILES notation for 2-(4-aminophenoxy)benzoic acid?
The canonical SMILES for 2-(4-aminophenoxy)benzoic acid is Nc1ccc(Oc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-aminophenoxy)benzoic acid?
The InChIKey is QHUNNXCUJKOGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,14H2,(H,15,16).
What are the key properties of 2-(4-aminophenoxy)benzoic acid?
2-(4-aminophenoxy)benzoic acid has a molecular weight of 229.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)benzoic acid is sourced from PubChem (CID 2764338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).