4-(3-aminophenoxy)phthalic acid

C14H11NO5 — CID 773543

IUPAC4-(3-aminophenoxy)phthalic acid
SMILESNc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1
InChIInChI=1S/C14H11NO5/c15-8-2-1-3-9(6-8)20-10-4-5-11(13(16)17)12(7-10)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19)
InChIKeyPGTIVCAWCSTAPB-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.46
Rot. Bonds4

About 4-(3-aminophenoxy)phthalic acid

4-(3-aminophenoxy)phthalic acid (PubChem CID 773543) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(3-aminophenoxy)phthalic acid.

Molecular Properties

Compound Name4-(3-aminophenoxy)phthalic acid
PubChem CID773543
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-(3-aminophenoxy)phthalic acid
SMILESNc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1
InChIInChI=1S/C14H11NO5/c15-8-2-1-3-9(6-8)20-10-4-5-11(13(16)17)12(7-10)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19)
InChIKeyPGTIVCAWCSTAPB-UHFFFAOYSA-N
XLogP2.46
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-aminophenoxy)phthalic acid 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 4-(3-aminophenoxy)phthalic acid?
The IUPAC name of 4-(3-aminophenoxy)phthalic acid (CID 773543) is 4-(3-aminophenoxy)phthalic acid.
What is the SMILES notation for 4-(3-aminophenoxy)phthalic acid?
The canonical SMILES for 4-(3-aminophenoxy)phthalic acid is Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1.
What is the InChIKey of 4-(3-aminophenoxy)phthalic acid?
The InChIKey is PGTIVCAWCSTAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c15-8-2-1-3-9(6-8)20-10-4-5-11(13(16)17)12(7-10)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-(3-aminophenoxy)phthalic acid?
4-(3-aminophenoxy)phthalic acid has a molecular weight of 273.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)phthalic acid is sourced from PubChem (CID 773543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).