2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione

C15H10O3 — CID 637335

IUPAC2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione
SMILESC=C(C)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3
InChIKeyJIXOWAXGILXNLY-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.09
Rot. Bonds1

About 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione

2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione (PubChem CID 637335) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione
PubChem CID637335
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione
SMILESC=C(C)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3
InChIKeyJIXOWAXGILXNLY-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione (CID 637335) is 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione is C=C(C)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione?
The InChIKey is JIXOWAXGILXNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-7H,1H2,2H3.
What are the key properties of 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione?
2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione has a molecular weight of 238.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 637335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).