2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid

C23H19NO4 — CID 139560519

IUPAC2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
SMILESNc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)c1
InChIInChI=1S/C23H19NO4/c24-19-6-3-5-16(12-19)20-11-15(10-18-8-9-27-23(18)20)14-28-21-7-2-1-4-17(21)13-22(25)26/h1-12H,13-14,24H2,(H,25,26)
InChIKeyZRTLIBMMYNLOPL-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.89
Rot. Bonds6

About 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid

2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid (PubChem CID 139560519) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
PubChem CID139560519
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
SMILESNc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)c1
InChIInChI=1S/C23H19NO4/c24-19-6-3-5-16(12-19)20-11-15(10-18-8-9-27-23(18)20)14-28-21-7-2-1-4-17(21)13-22(25)26/h1-12H,13-14,24H2,(H,25,26)
InChIKeyZRTLIBMMYNLOPL-UHFFFAOYSA-N
XLogP4.89
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid (CID 139560519) is 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid is Nc1cccc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)c1.
What is the InChIKey of 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is ZRTLIBMMYNLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c24-19-6-3-5-16(12-19)20-11-15(10-18-8-9-27-23(18)20)14-28-21-7-2-1-4-17(21)13-22(25)26/h1-12H,13-14,24H2,(H,25,26).
What are the key properties of 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[7-(3-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 139560519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).