2-phenyl-3-prop-2-enyl-1-benzofuran

C17H14O — CID 15441762

IUPAC2-phenyl-3-prop-2-enyl-1-benzofuran
SMILESC=CCc1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H14O/c1-2-8-15-14-11-6-7-12-16(14)18-17(15)13-9-4-3-5-10-13/h2-7,9-12H,1,8H2
InChIKeyXNSLLVAVTMLLHL-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.83
Rot. Bonds3

About 2-phenyl-3-prop-2-enyl-1-benzofuran

2-phenyl-3-prop-2-enyl-1-benzofuran (PubChem CID 15441762) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-phenyl-3-prop-2-enyl-1-benzofuran.

Molecular Properties

Compound Name2-phenyl-3-prop-2-enyl-1-benzofuran
PubChem CID15441762
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name2-phenyl-3-prop-2-enyl-1-benzofuran
SMILESC=CCc1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C17H14O/c1-2-8-15-14-11-6-7-12-16(14)18-17(15)13-9-4-3-5-10-13/h2-7,9-12H,1,8H2
InChIKeyXNSLLVAVTMLLHL-UHFFFAOYSA-N
XLogP4.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-prop-2-enyl-1-benzofuran?
The IUPAC name of 2-phenyl-3-prop-2-enyl-1-benzofuran (CID 15441762) is 2-phenyl-3-prop-2-enyl-1-benzofuran.
What is the SMILES notation for 2-phenyl-3-prop-2-enyl-1-benzofuran?
The canonical SMILES for 2-phenyl-3-prop-2-enyl-1-benzofuran is C=CCc1c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenyl-3-prop-2-enyl-1-benzofuran?
The InChIKey is XNSLLVAVTMLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-2-8-15-14-11-6-7-12-16(14)18-17(15)13-9-4-3-5-10-13/h2-7,9-12H,1,8H2.
What are the key properties of 2-phenyl-3-prop-2-enyl-1-benzofuran?
2-phenyl-3-prop-2-enyl-1-benzofuran has a molecular weight of 234.30 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-prop-2-enyl-1-benzofuran is sourced from PubChem (CID 15441762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).