6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran

C12H11O3P — CID 146550946

IUPAC6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran
SMILESC#CP(=O)(OCC)c1ccc2ccoc2c1
InChIInChI=1S/C12H11O3P/c1-3-15-16(13,4-2)11-6-5-10-7-8-14-12(10)9-11/h2,5-9H,3H2,1H3
InChIKeyJXOKTSSZYJWUEH-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.96
Rot. Bonds3

About 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran

6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran (PubChem CID 146550946) has the molecular formula C12H11O3P and a molecular weight of 234.19 g/mol. Its IUPAC name is 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran.

Molecular Properties

Compound Name6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran
PubChem CID146550946
Molecular FormulaC12H11O3P
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran
SMILESC#CP(=O)(OCC)c1ccc2ccoc2c1
InChIInChI=1S/C12H11O3P/c1-3-15-16(13,4-2)11-6-5-10-7-8-14-12(10)9-11/h2,5-9H,3H2,1H3
InChIKeyJXOKTSSZYJWUEH-UHFFFAOYSA-N
XLogP2.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran?
The IUPAC name of 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran (CID 146550946) is 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran.
What is the SMILES notation for 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran?
The canonical SMILES for 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran is C#CP(=O)(OCC)c1ccc2ccoc2c1.
What is the InChIKey of 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran?
The InChIKey is JXOKTSSZYJWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P/c1-3-15-16(13,4-2)11-6-5-10-7-8-14-12(10)9-11/h2,5-9H,3H2,1H3.
What are the key properties of 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran?
6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran has a molecular weight of 234.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethoxy(ethynyl)phosphoryl]-1-benzofuran is sourced from PubChem (CID 146550946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).