5-amino-2-(3-ethoxyphenoxy)benzoic acid

C15H15NO4 — CID 62338276

IUPAC5-amino-2-(3-ethoxyphenoxy)benzoic acid
SMILESCCOc1cccc(Oc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-2-19-11-4-3-5-12(9-11)20-14-7-6-10(16)8-13(14)15(17)18/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyJUDLLVKJHAZJBG-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.16
Rot. Bonds5

About 5-amino-2-(3-ethoxyphenoxy)benzoic acid

5-amino-2-(3-ethoxyphenoxy)benzoic acid (PubChem CID 62338276) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-2-(3-ethoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-2-(3-ethoxyphenoxy)benzoic acid
PubChem CID62338276
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-amino-2-(3-ethoxyphenoxy)benzoic acid
SMILESCCOc1cccc(Oc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-2-19-11-4-3-5-12(9-11)20-14-7-6-10(16)8-13(14)15(17)18/h3-9H,2,16H2,1H3,(H,17,18)
InChIKeyJUDLLVKJHAZJBG-UHFFFAOYSA-N
XLogP3.16
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-ethoxyphenoxy)benzoic acid
CID 115547246
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
CID 107197815
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
5-amino-2-[4-(4-amino-2-carboxyphenoxy)phenoxy]benzoic acid
CID 139816343
2-(3-ethoxyphenoxy)-4-methylbenzoic acid
CID 62702429
ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
1-(5-amino-2-phenoxyphenyl)propan-1-one
CID 174383194
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethoxyphenoxy)benzoic acid?
The IUPAC name of 5-amino-2-(3-ethoxyphenoxy)benzoic acid (CID 62338276) is 5-amino-2-(3-ethoxyphenoxy)benzoic acid.
What is the SMILES notation for 5-amino-2-(3-ethoxyphenoxy)benzoic acid?
The canonical SMILES for 5-amino-2-(3-ethoxyphenoxy)benzoic acid is CCOc1cccc(Oc2ccc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-2-(3-ethoxyphenoxy)benzoic acid?
The InChIKey is JUDLLVKJHAZJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-19-11-4-3-5-12(9-11)20-14-7-6-10(16)8-13(14)15(17)18/h3-9H,2,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-(3-ethoxyphenoxy)benzoic acid?
5-amino-2-(3-ethoxyphenoxy)benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethoxyphenoxy)benzoic acid is sourced from PubChem (CID 62338276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).