2-[4-(3-aminophenoxy)phenyl]acetic acid

C14H13NO3 — CID 91306581

IUPAC2-[4-(3-aminophenoxy)phenyl]acetic acid
SMILESNc1cccc(Oc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C14H13NO3/c15-11-2-1-3-13(9-11)18-12-6-4-10(5-7-12)8-14(16)17/h1-7,9H,8,15H2,(H,16,17)
InChIKeyKDDROHKEESIBTF-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-(3-aminophenoxy)phenyl]acetic acid

2-[4-(3-aminophenoxy)phenyl]acetic acid (PubChem CID 91306581) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[4-(3-aminophenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-aminophenoxy)phenyl]acetic acid
PubChem CID91306581
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[4-(3-aminophenoxy)phenyl]acetic acid
SMILESNc1cccc(Oc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C14H13NO3/c15-11-2-1-3-13(9-11)18-12-6-4-10(5-7-12)8-14(16)17/h1-7,9H,8,15H2,(H,16,17)
InChIKeyKDDROHKEESIBTF-UHFFFAOYSA-N
XLogP2.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-aminophenoxy)phenyl]acetic acid (CID 91306581) is 2-[4-(3-aminophenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-aminophenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-aminophenoxy)phenyl]acetic acid is Nc1cccc(Oc2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-(3-aminophenoxy)phenyl]acetic acid?
The InChIKey is KDDROHKEESIBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c15-11-2-1-3-13(9-11)18-12-6-4-10(5-7-12)8-14(16)17/h1-7,9H,8,15H2,(H,16,17).
What are the key properties of 2-[4-(3-aminophenoxy)phenyl]acetic acid?
2-[4-(3-aminophenoxy)phenyl]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenoxy)phenyl]acetic acid is sourced from PubChem (CID 91306581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).