(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one

C19H14O2 — CID 139239294

IUPAC(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one
SMILESO=C1O/C(=C/c2ccccc2)C2=C1CCc1ccccc12
InChIInChI=1S/C19H14O2/c20-19-16-11-10-14-8-4-5-9-15(14)18(16)17(21-19)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2/b17-12+
InChIKeyQZGJBYJQNPSTLG-SFQUDFHCSA-N
MW274.32 g/mol
LogP3.98
Rot. Bonds1

About (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one

(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one (PubChem CID 139239294) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one.

Molecular Properties

Compound Name(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one
PubChem CID139239294
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one
SMILESO=C1O/C(=C/c2ccccc2)C2=C1CCc1ccccc12
InChIInChI=1S/C19H14O2/c20-19-16-11-10-14-8-4-5-9-15(14)18(16)17(21-19)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2/b17-12+
InChIKeyQZGJBYJQNPSTLG-SFQUDFHCSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one?
The IUPAC name of (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one (CID 139239294) is (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one.
What is the SMILES notation for (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one?
The canonical SMILES for (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one is O=C1O/C(=C/c2ccccc2)C2=C1CCc1ccccc12.
What is the InChIKey of (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one?
The InChIKey is QZGJBYJQNPSTLG-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H14O2/c20-19-16-11-10-14-8-4-5-9-15(14)18(16)17(21-19)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2/b17-12+.
What are the key properties of (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one?
(1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one has a molecular weight of 274.32 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-benzylidene-4,5-dihydrobenzo[e][2]benzofuran-3-one is sourced from PubChem (CID 139239294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).