5-benzyl-2-benzofuran-1,3-dione

C15H10O3 — CID 12658460

IUPAC5-benzyl-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C15H10O3/c16-14-12-7-6-11(9-13(12)15(17)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyPPUIYQPRVHSWST-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.59
Rot. Bonds2

About 5-benzyl-2-benzofuran-1,3-dione

5-benzyl-2-benzofuran-1,3-dione (PubChem CID 12658460) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-benzyl-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-benzyl-2-benzofuran-1,3-dione
PubChem CID12658460
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name5-benzyl-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(Cc3ccccc3)ccc21
InChIInChI=1S/C15H10O3/c16-14-12-7-6-11(9-13(12)15(17)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyPPUIYQPRVHSWST-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-benzofuran-1,3-dione?
The IUPAC name of 5-benzyl-2-benzofuran-1,3-dione (CID 12658460) is 5-benzyl-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-benzyl-2-benzofuran-1,3-dione?
The canonical SMILES for 5-benzyl-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(Cc3ccccc3)ccc21.
What is the InChIKey of 5-benzyl-2-benzofuran-1,3-dione?
The InChIKey is PPUIYQPRVHSWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-14-12-7-6-11(9-13(12)15(17)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 5-benzyl-2-benzofuran-1,3-dione?
5-benzyl-2-benzofuran-1,3-dione has a molecular weight of 238.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-benzofuran-1,3-dione is sourced from PubChem (CID 12658460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).