2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid

C23H19NO4 — CID 139561386

IUPAC2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
SMILESNc1ccc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)cc1
InChIInChI=1S/C23H19NO4/c24-19-7-5-16(6-8-19)20-12-15(11-18-9-10-27-23(18)20)14-28-21-4-2-1-3-17(21)13-22(25)26/h1-12H,13-14,24H2,(H,25,26)
InChIKeyVHZGYJWHFBKLKK-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.89
Rot. Bonds6

About 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid

2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid (PubChem CID 139561386) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
PubChem CID139561386
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
SMILESNc1ccc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)cc1
InChIInChI=1S/C23H19NO4/c24-19-7-5-16(6-8-19)20-12-15(11-18-9-10-27-23(18)20)14-28-21-4-2-1-3-17(21)13-22(25)26/h1-12H,13-14,24H2,(H,25,26)
InChIKeyVHZGYJWHFBKLKK-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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Related Compounds

(4-Aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 877208
4-(2-(5-Methoxybenzofuran-2-yl)vinyl)benzenamine
CID 44548346
2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride
CID 44548347
2-[2-[[7-[3-(1-Amino-2-fluoroethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139559804
2-[4-Acetamido-2-[[7-[3-(1-amino-2-fluoroethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139559946
2-[2-[[7-[3-(Aminomethyl)-2-fluorophenyl]-3-(trifluoromethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139559977
2-[2-[[7-[3-(Aminomethyl)-2-fluorophenyl]-1-benzofuran-5-yl]methoxy]-4-propan-2-ylphenyl]acetic acid
CID 139560013
2-[2-[[7-[3-(Aminomethyl)phenyl]-2-(trifluoromethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560016
2-[2-[[7-[3-(Aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-3-fluorophenyl]acetic acid
CID 139560019
2-[2-[[7-[3-(Aminomethyl)phenyl]-2-fluoro-1-benzofuran-5-yl]methoxy]-4-ethylphenyl]acetic acid
CID 139560050
2-[2-[[7-[3-(1-Amino-2-fluoroethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560052
2-[2-[[7-[3-(Aminomethyl)-2-fluorophenyl]-2-fluoro-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560085

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid (CID 139561386) is 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid is Nc1ccc(-c2cc(COc3ccccc3CC(=O)O)cc3ccoc23)cc1.
What is the InChIKey of 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is VHZGYJWHFBKLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c24-19-7-5-16(6-8-19)20-12-15(11-18-9-10-27-23(18)20)14-28-21-4-2-1-3-17(21)13-22(25)26/h1-12H,13-14,24H2,(H,25,26).
What are the key properties of 2-[2-[[7-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid?
2-[2-[[7-(4-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-(4-aminophenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 139561386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).