5-phenyloxolane-2,3,4-trione

C10H6O4 — CID 3082105

IUPAC5-phenyloxolane-2,3,4-trione
SMILESO=C1OC(c2ccccc2)C(=O)C1=O
InChIInChI=1S/C10H6O4/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9H
InChIKeyOIYUNDWAIWJGBI-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.42
Rot. Bonds1

About 5-phenyloxolane-2,3,4-trione

5-phenyloxolane-2,3,4-trione (PubChem CID 3082105) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 5-phenyloxolane-2,3,4-trione.

Molecular Properties

Compound Name5-phenyloxolane-2,3,4-trione
PubChem CID3082105
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name5-phenyloxolane-2,3,4-trione
SMILESO=C1OC(c2ccccc2)C(=O)C1=O
InChIInChI=1S/C10H6O4/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9H
InChIKeyOIYUNDWAIWJGBI-UHFFFAOYSA-N
XLogP0.42
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyloxolane-2,3,4-trione?
The IUPAC name of 5-phenyloxolane-2,3,4-trione (CID 3082105) is 5-phenyloxolane-2,3,4-trione.
What is the SMILES notation for 5-phenyloxolane-2,3,4-trione?
The canonical SMILES for 5-phenyloxolane-2,3,4-trione is O=C1OC(c2ccccc2)C(=O)C1=O.
What is the InChIKey of 5-phenyloxolane-2,3,4-trione?
The InChIKey is OIYUNDWAIWJGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9H.
What are the key properties of 5-phenyloxolane-2,3,4-trione?
5-phenyloxolane-2,3,4-trione has a molecular weight of 190.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyloxolane-2,3,4-trione is sourced from PubChem (CID 3082105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).