2-benzofuran-1,3-dione;oxolane

C12H12O4 — CID 158210256

IUPAC2-benzofuran-1,3-dione;oxolane
SMILESC1CCOC1.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3.C4H8O/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-4-5-3-1/h1-4H;1-4H2
InChIKeyGBZJFAYRSMFIJA-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.79
Rot. Bonds

About 2-benzofuran-1,3-dione;oxolane

2-benzofuran-1,3-dione;oxolane (PubChem CID 158210256) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;oxolane.

Molecular Properties

Compound Name2-benzofuran-1,3-dione;oxolane
PubChem CID158210256
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-benzofuran-1,3-dione;oxolane
SMILESC1CCOC1.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3.C4H8O/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-4-5-3-1/h1-4H;1-4H2
InChIKeyGBZJFAYRSMFIJA-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-benzofuran-1,3-dione;oxolane?
The IUPAC name of 2-benzofuran-1,3-dione;oxolane (CID 158210256) is 2-benzofuran-1,3-dione;oxolane.
What is the SMILES notation for 2-benzofuran-1,3-dione;oxolane?
The canonical SMILES for 2-benzofuran-1,3-dione;oxolane is C1CCOC1.O=C1OC(=O)c2ccccc21.
What is the InChIKey of 2-benzofuran-1,3-dione;oxolane?
The InChIKey is GBZJFAYRSMFIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O3.C4H8O/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-4-5-3-1/h1-4H;1-4H2.
What are the key properties of 2-benzofuran-1,3-dione;oxolane?
2-benzofuran-1,3-dione;oxolane has a molecular weight of 220.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-dione;oxolane is sourced from PubChem (CID 158210256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).