4-[2-(4-aminophenoxy)ethoxy]benzoic acid

C15H15NO4 — CID 82147710

IUPAC4-[2-(4-aminophenoxy)ethoxy]benzoic acid
SMILESNc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO4/c16-12-3-7-14(8-4-12)20-10-9-19-13-5-1-11(2-6-13)15(17)18/h1-8H,9-10,16H2,(H,17,18)
InChIKeyBGPFHFCOWDRUDN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.42
Rot. Bonds6

About 4-[2-(4-aminophenoxy)ethoxy]benzoic acid

4-[2-(4-aminophenoxy)ethoxy]benzoic acid (PubChem CID 82147710) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[2-(4-aminophenoxy)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-aminophenoxy)ethoxy]benzoic acid
PubChem CID82147710
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-[2-(4-aminophenoxy)ethoxy]benzoic acid
SMILESNc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H15NO4/c16-12-3-7-14(8-4-12)20-10-9-19-13-5-1-11(2-6-13)15(17)18/h1-8H,9-10,16H2,(H,17,18)
InChIKeyBGPFHFCOWDRUDN-UHFFFAOYSA-N
XLogP2.42
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzoic acid;4-(2-aminoethoxy)benzoic acid
CID 157214876
4-aminobenzoic acid;2-(2-phenoxyethoxy)ethanol
CID 71320764
5-[6-(4-aminophenoxy)hexoxy]benzene-1,3-dicarboxylic acid
CID 102321827
4-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 20984535
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-aminobenzoic acid;hydrofluoride
CID 159690577
4-(4-hydroxybutoxy)benzoic acid
CID 15218596
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
4-[2-[4-(2-hydroxyethoxy)phenoxy]ethoxycarbonyl]benzoic acid
CID 57119637
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
4-(4-aminophenoxy)butanoic acid
CID 14451763

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminophenoxy)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(4-aminophenoxy)ethoxy]benzoic acid (CID 82147710) is 4-[2-(4-aminophenoxy)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(4-aminophenoxy)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(4-aminophenoxy)ethoxy]benzoic acid is Nc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-(4-aminophenoxy)ethoxy]benzoic acid?
The InChIKey is BGPFHFCOWDRUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c16-12-3-7-14(8-4-12)20-10-9-19-13-5-1-11(2-6-13)15(17)18/h1-8H,9-10,16H2,(H,17,18).
What are the key properties of 4-[2-(4-aminophenoxy)ethoxy]benzoic acid?
4-[2-(4-aminophenoxy)ethoxy]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminophenoxy)ethoxy]benzoic acid is sourced from PubChem (CID 82147710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).