4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid

C20H15NO5 — CID 56607371

IUPAC4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
SMILESNc1ccc(C(=O)O)c(OC(=O)c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H15NO5/c21-13-10-11-15(19(22)23)18(12-13)26-20(24)16-8-4-5-9-17(16)25-14-6-2-1-3-7-14/h1-12H,21H2,(H,22,23)
InChIKeyJRTNXJFCGRUVRZ-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.98
Rot. Bonds5

About 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid

4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid (PubChem CID 56607371) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
PubChem CID56607371
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
SMILESNc1ccc(C(=O)O)c(OC(=O)c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H15NO5/c21-13-10-11-15(19(22)23)18(12-13)26-20(24)16-8-4-5-9-17(16)25-14-6-2-1-3-7-14/h1-12H,21H2,(H,22,23)
InChIKeyJRTNXJFCGRUVRZ-UHFFFAOYSA-N
XLogP3.98
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
CID 22723938
phenyl 2-phenoxybenzoate
CID 2471273
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
CID 174895889
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
benzoic acid;2-phenoxybenzoic acid
CID 160712085
methyl 5-amino-2-phenoxybenzoate
CID 23019285
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
phenyl 4-amino-2-trimethylsilyloxybenzoate
CID 91734013
bis(3-aminophenyl) benzene-1,2-dicarboxylate
CID 140718881
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid?
The IUPAC name of 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid (CID 56607371) is 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid?
The canonical SMILES for 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid is Nc1ccc(C(=O)O)c(OC(=O)c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid?
The InChIKey is JRTNXJFCGRUVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5/c21-13-10-11-15(19(22)23)18(12-13)26-20(24)16-8-4-5-9-17(16)25-14-6-2-1-3-7-14/h1-12H,21H2,(H,22,23).
What are the key properties of 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid?
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid has a molecular weight of 349.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 56607371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).