1-prop-2-enylbenzo[e][1]benzofuran

C15H12O — CID 57196603

IUPAC1-prop-2-enylbenzo[e][1]benzofuran
SMILESC=CCc1coc2ccc3ccccc3c12
InChIInChI=1S/C15H12O/c1-2-5-12-10-16-14-9-8-11-6-3-4-7-13(11)15(12)14/h2-4,6-10H,1,5H2
InChIKeyYZRHAHPHXOBVGZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP4.31
Rot. Bonds2

About 1-prop-2-enylbenzo[e][1]benzofuran

1-prop-2-enylbenzo[e][1]benzofuran (PubChem CID 57196603) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-prop-2-enylbenzo[e][1]benzofuran.

Molecular Properties

Compound Name1-prop-2-enylbenzo[e][1]benzofuran
PubChem CID57196603
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name1-prop-2-enylbenzo[e][1]benzofuran
SMILESC=CCc1coc2ccc3ccccc3c12
InChIInChI=1S/C15H12O/c1-2-5-12-10-16-14-9-8-11-6-3-4-7-13(11)15(12)14/h2-4,6-10H,1,5H2
InChIKeyYZRHAHPHXOBVGZ-UHFFFAOYSA-N
XLogP4.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 54.31
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 1-prop-2-enylbenzo[e][1]benzofuran?
The IUPAC name of 1-prop-2-enylbenzo[e][1]benzofuran (CID 57196603) is 1-prop-2-enylbenzo[e][1]benzofuran.
What is the SMILES notation for 1-prop-2-enylbenzo[e][1]benzofuran?
The canonical SMILES for 1-prop-2-enylbenzo[e][1]benzofuran is C=CCc1coc2ccc3ccccc3c12.
What is the InChIKey of 1-prop-2-enylbenzo[e][1]benzofuran?
The InChIKey is YZRHAHPHXOBVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-5-12-10-16-14-9-8-11-6-3-4-7-13(11)15(12)14/h2-4,6-10H,1,5H2.
What are the key properties of 1-prop-2-enylbenzo[e][1]benzofuran?
1-prop-2-enylbenzo[e][1]benzofuran has a molecular weight of 208.26 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylbenzo[e][1]benzofuran is sourced from PubChem (CID 57196603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).