3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran

C20H14O — CID 122392091

IUPAC3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran
SMILESCC#Cc1ccccc1-c1oc2ccccc2c1C#CC
InChIInChI=1S/C20H14O/c1-3-9-15-11-5-6-12-16(15)20-18(10-4-2)17-13-7-8-14-19(17)21-20/h5-8,11-14H,1-2H3
InChIKeyPDGPYIBOMGJGQY-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.84
Rot. Bonds1

About 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran

3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran (PubChem CID 122392091) has the molecular formula C20H14O and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran
PubChem CID122392091
Molecular FormulaC20H14O
Molecular Weight270.33 g/mol
Exact Mass270.10
IUPAC Name3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran
SMILESCC#Cc1ccccc1-c1oc2ccccc2c1C#CC
InChIInChI=1S/C20H14O/c1-3-9-15-11-5-6-12-16(15)20-18(10-4-2)17-13-7-8-14-19(17)21-20/h5-8,11-14H,1-2H3
InChIKeyPDGPYIBOMGJGQY-UHFFFAOYSA-N
XLogP4.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.84
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 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran?
The IUPAC name of 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran (CID 122392091) is 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran.
What is the SMILES notation for 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran?
The canonical SMILES for 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran is CC#Cc1ccccc1-c1oc2ccccc2c1C#CC.
What is the InChIKey of 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran?
The InChIKey is PDGPYIBOMGJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O/c1-3-9-15-11-5-6-12-16(15)20-18(10-4-2)17-13-7-8-14-19(17)21-20/h5-8,11-14H,1-2H3.
What are the key properties of 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran?
3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran has a molecular weight of 270.33 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-ynyl-2-(2-prop-1-ynylphenyl)-1-benzofuran is sourced from PubChem (CID 122392091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).