2-(2-phenylethynyl)-1-benzofuran

C16H10O — CID 3308700

IUPAC2-(2-phenylethynyl)-1-benzofuran
SMILESC(#Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C16H10O/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)17-15/h1-9,12H
InChIKeyHSEHNECEMKRMGJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.83
Rot. Bonds

About 2-(2-phenylethynyl)-1-benzofuran

2-(2-phenylethynyl)-1-benzofuran (PubChem CID 3308700) has the molecular formula C16H10O and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-1-benzofuran.

Molecular Properties

Compound Name2-(2-phenylethynyl)-1-benzofuran
PubChem CID3308700
Molecular FormulaC16H10O
Molecular Weight218.25 g/mol
Exact Mass218.07
IUPAC Name2-(2-phenylethynyl)-1-benzofuran
SMILESC(#Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C16H10O/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)17-15/h1-9,12H
InChIKeyHSEHNECEMKRMGJ-UHFFFAOYSA-N
XLogP3.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-1-benzofuran?
The IUPAC name of 2-(2-phenylethynyl)-1-benzofuran (CID 3308700) is 2-(2-phenylethynyl)-1-benzofuran.
What is the SMILES notation for 2-(2-phenylethynyl)-1-benzofuran?
The canonical SMILES for 2-(2-phenylethynyl)-1-benzofuran is C(#Cc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethynyl)-1-benzofuran?
The InChIKey is HSEHNECEMKRMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O/c1-2-6-13(7-3-1)10-11-15-12-14-8-4-5-9-16(14)17-15/h1-9,12H.
What are the key properties of 2-(2-phenylethynyl)-1-benzofuran?
2-(2-phenylethynyl)-1-benzofuran has a molecular weight of 218.25 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-1-benzofuran is sourced from PubChem (CID 3308700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).