4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid

C14H11NO6 — CID 57080181

IUPAC4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)Oc2ccc(C(=O)O)c(O)c2)c(O)c1
InChIInChI=1S/C14H11NO6/c15-7-1-3-10(11(16)5-7)14(20)21-8-2-4-9(13(18)19)12(17)6-8/h1-6,16-17H,15H2,(H,18,19)
InChIKeyNTFHIWFCRFOTJE-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.60
Rot. Bonds3

About 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid

4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid (PubChem CID 57080181) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
PubChem CID57080181
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
SMILESNc1ccc(C(=O)Oc2ccc(C(=O)O)c(O)c2)c(O)c1
InChIInChI=1S/C14H11NO6/c15-7-1-3-10(11(16)5-7)14(20)21-8-2-4-9(13(18)19)12(17)6-8/h1-6,16-17H,15H2,(H,18,19)
InChIKeyNTFHIWFCRFOTJE-UHFFFAOYSA-N
XLogP1.60
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
CID 54434813
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
(3-methyl-5-propan-2-ylphenyl) 4-amino-2-hydroxybenzoate
CID 21148127

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid?
The IUPAC name of 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid (CID 57080181) is 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid?
The canonical SMILES for 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid is Nc1ccc(C(=O)Oc2ccc(C(=O)O)c(O)c2)c(O)c1.
What is the InChIKey of 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid?
The InChIKey is NTFHIWFCRFOTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c15-7-1-3-10(11(16)5-7)14(20)21-8-2-4-9(13(18)19)12(17)6-8/h1-6,16-17H,15H2,(H,18,19).
What are the key properties of 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid?
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid has a molecular weight of 289.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid is sourced from PubChem (CID 57080181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).