[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate

C16H13NO3 — CID 89335862

IUPAC[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cc3ccccc3o2)cc1N
InChIInChI=1S/C16H13NO3/c1-10(18)19-15-7-6-12(8-13(15)17)16-9-11-4-2-3-5-14(11)20-16/h2-9H,17H2,1H3
InChIKeyRUNCDBOYUBXLAN-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.61
Rot. Bonds2

About [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate

[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate (PubChem CID 89335862) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate
PubChem CID89335862
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2cc3ccccc3o2)cc1N
InChIInChI=1S/C16H13NO3/c1-10(18)19-15-7-6-12(8-13(15)17)16-9-11-4-2-3-5-14(11)20-16/h2-9H,17H2,1H3
InChIKeyRUNCDBOYUBXLAN-UHFFFAOYSA-N
XLogP3.61
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate?
The IUPAC name of [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate (CID 89335862) is [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate.
What is the SMILES notation for [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate?
The canonical SMILES for [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate is CC(=O)Oc1ccc(-c2cc3ccccc3o2)cc1N.
What is the InChIKey of [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate?
The InChIKey is RUNCDBOYUBXLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10(18)19-15-7-6-12(8-13(15)17)16-9-11-4-2-3-5-14(11)20-16/h2-9H,17H2,1H3.
What are the key properties of [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate?
[2-amino-4-(1-benzofuran-2-yl)phenyl] acetate has a molecular weight of 267.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(1-benzofuran-2-yl)phenyl] acetate is sourced from PubChem (CID 89335862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).