2-amino-5-phenoxybenzoic acid

C13H11NO3 — CID 14233437

IUPAC2-amino-5-phenoxybenzoic acid
SMILESNc1ccc(Oc2ccccc2)cc1C(=O)O
InChIInChI=1S/C13H11NO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
InChIKeyDQQGVGXQQYLHTC-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.76
Rot. Bonds3

About 2-amino-5-phenoxybenzoic acid

2-amino-5-phenoxybenzoic acid (PubChem CID 14233437) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-5-phenoxybenzoic acid.

Molecular Properties

Compound Name2-amino-5-phenoxybenzoic acid
PubChem CID14233437
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-amino-5-phenoxybenzoic acid
SMILESNc1ccc(Oc2ccccc2)cc1C(=O)O
InChIInChI=1S/C13H11NO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)
InChIKeyDQQGVGXQQYLHTC-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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenoxybenzoic acid?
The IUPAC name of 2-amino-5-phenoxybenzoic acid (CID 14233437) is 2-amino-5-phenoxybenzoic acid.
What is the SMILES notation for 2-amino-5-phenoxybenzoic acid?
The canonical SMILES for 2-amino-5-phenoxybenzoic acid is Nc1ccc(Oc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-phenoxybenzoic acid?
The InChIKey is DQQGVGXQQYLHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-12-7-6-10(8-11(12)13(15)16)17-9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16).
What are the key properties of 2-amino-5-phenoxybenzoic acid?
2-amino-5-phenoxybenzoic 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-amino-5-phenoxybenzoic acid is sourced from PubChem (CID 14233437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).