4-phenyloxolane-2,3-dione

C10H8O3 — CID 10103675

IUPAC4-phenyloxolane-2,3-dione
SMILESO=C1OCC(c2ccccc2)C1=O
InChIInChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWYGILTLZANOLBZ-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.90
Rot. Bonds1

About 4-phenyloxolane-2,3-dione

4-phenyloxolane-2,3-dione (PubChem CID 10103675) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-phenyloxolane-2,3-dione.

Molecular Properties

Compound Name4-phenyloxolane-2,3-dione
PubChem CID10103675
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name4-phenyloxolane-2,3-dione
SMILESO=C1OCC(c2ccccc2)C1=O
InChIInChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyWYGILTLZANOLBZ-UHFFFAOYSA-N
XLogP0.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyloxolane-2,3-dione?
The IUPAC name of 4-phenyloxolane-2,3-dione (CID 10103675) is 4-phenyloxolane-2,3-dione.
What is the SMILES notation for 4-phenyloxolane-2,3-dione?
The canonical SMILES for 4-phenyloxolane-2,3-dione is O=C1OCC(c2ccccc2)C1=O.
What is the InChIKey of 4-phenyloxolane-2,3-dione?
The InChIKey is WYGILTLZANOLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-9-8(6-13-10(9)12)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 4-phenyloxolane-2,3-dione?
4-phenyloxolane-2,3-dione has a molecular weight of 176.17 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyloxolane-2,3-dione is sourced from PubChem (CID 10103675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).