2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone

C12H10BrNO3 — CID 59379179

IUPAC2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone
SMILESNc1cccc(Br)c1OCC(=O)c1ccoc1
InChIInChI=1S/C12H10BrNO3/c13-9-2-1-3-10(14)12(9)17-7-11(15)8-4-5-16-6-8/h1-6H,7,14H2
InChIKeyKPWFOVITNHZOFN-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone

2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone (PubChem CID 59379179) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone
PubChem CID59379179
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone
SMILESNc1cccc(Br)c1OCC(=O)c1ccoc1
InChIInChI=1S/C12H10BrNO3/c13-9-2-1-3-10(14)12(9)17-7-11(15)8-4-5-16-6-8/h1-6H,7,14H2
InChIKeyKPWFOVITNHZOFN-UHFFFAOYSA-N
XLogP2.89
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
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-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone?
The IUPAC name of 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone (CID 59379179) is 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone is Nc1cccc(Br)c1OCC(=O)c1ccoc1.
What is the InChIKey of 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone?
The InChIKey is KPWFOVITNHZOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-9-2-1-3-10(14)12(9)17-7-11(15)8-4-5-16-6-8/h1-6H,7,14H2.
What are the key properties of 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone?
2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone has a molecular weight of 296.12 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromophenoxy)-1-(furan-3-yl)ethanone is sourced from PubChem (CID 59379179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).