4-(3-aminophenyl)-2-hydroxybenzoic acid

C13H11NO3 — CID 53224908

IUPAC4-(3-aminophenyl)-2-hydroxybenzoic acid
SMILESNc1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7,15H,14H2,(H,16,17)
InChIKeyJGDULXNYFBPNQG-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.34
Rot. Bonds2

About 4-(3-aminophenyl)-2-hydroxybenzoic acid

4-(3-aminophenyl)-2-hydroxybenzoic acid (PubChem CID 53224908) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-(3-aminophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-aminophenyl)-2-hydroxybenzoic acid
PubChem CID53224908
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-(3-aminophenyl)-2-hydroxybenzoic acid
SMILESNc1cccc(-c2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7,15H,14H2,(H,16,17)
InChIKeyJGDULXNYFBPNQG-UHFFFAOYSA-N
XLogP2.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-aminophenyl)-2-hydroxybenzoic 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-aminophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-aminophenyl)-2-hydroxybenzoic acid (CID 53224908) is 4-(3-aminophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-aminophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-aminophenyl)-2-hydroxybenzoic acid is Nc1cccc(-c2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 4-(3-aminophenyl)-2-hydroxybenzoic acid?
The InChIKey is JGDULXNYFBPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c14-10-3-1-2-8(6-10)9-4-5-11(13(16)17)12(15)7-9/h1-7,15H,14H2,(H,16,17).
What are the key properties of 4-(3-aminophenyl)-2-hydroxybenzoic acid?
4-(3-aminophenyl)-2-hydroxybenzoic acid has a molecular weight of 229.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 53224908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).