(4-quinoxalin-2-ylphenyl) acetate

C16H12N2O2 — CID 684417

IUPAC(4-quinoxalin-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H12N2O2/c1-11(19)20-13-8-6-12(7-9-13)16-10-17-14-4-2-3-5-15(14)18-16/h2-10H,1H3
InChIKeyKKDLMHZUDHECJY-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.22
Rot. Bonds2

About (4-quinoxalin-2-ylphenyl) acetate

(4-quinoxalin-2-ylphenyl) acetate (PubChem CID 684417) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (4-quinoxalin-2-ylphenyl) acetate.

Molecular Properties

Compound Name(4-quinoxalin-2-ylphenyl) acetate
PubChem CID684417
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(4-quinoxalin-2-ylphenyl) acetate
SMILESCC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H12N2O2/c1-11(19)20-13-8-6-12(7-9-13)16-10-17-14-4-2-3-5-15(14)18-16/h2-10H,1H3
InChIKeyKKDLMHZUDHECJY-UHFFFAOYSA-N
XLogP3.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-quinoxalin-2-ylphenyl) acetate?
The IUPAC name of (4-quinoxalin-2-ylphenyl) acetate (CID 684417) is (4-quinoxalin-2-ylphenyl) acetate.
What is the SMILES notation for (4-quinoxalin-2-ylphenyl) acetate?
The canonical SMILES for (4-quinoxalin-2-ylphenyl) acetate is CC(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1.
What is the InChIKey of (4-quinoxalin-2-ylphenyl) acetate?
The InChIKey is KKDLMHZUDHECJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11(19)20-13-8-6-12(7-9-13)16-10-17-14-4-2-3-5-15(14)18-16/h2-10H,1H3.
What are the key properties of (4-quinoxalin-2-ylphenyl) acetate?
(4-quinoxalin-2-ylphenyl) acetate has a molecular weight of 264.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinoxalin-2-ylphenyl) acetate is sourced from PubChem (CID 684417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).