3-methyl-3-phenyloxolane-2,5-dione

C11H10O3 — CID 4962834

IUPAC3-methyl-3-phenyloxolane-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)OC1=O
InChIInChI=1S/C11H10O3/c1-11(7-9(12)14-10(11)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAEEWWNZSKBVUBZ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.42
Rot. Bonds1

About 3-methyl-3-phenyloxolane-2,5-dione

3-methyl-3-phenyloxolane-2,5-dione (PubChem CID 4962834) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-methyl-3-phenyloxolane-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-phenyloxolane-2,5-dione
PubChem CID4962834
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-methyl-3-phenyloxolane-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)OC1=O
InChIInChI=1S/C11H10O3/c1-11(7-9(12)14-10(11)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyAEEWWNZSKBVUBZ-UHFFFAOYSA-N
XLogP1.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.42
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 3-methyl-3-phenyloxolane-2,5-dione?
The IUPAC name of 3-methyl-3-phenyloxolane-2,5-dione (CID 4962834) is 3-methyl-3-phenyloxolane-2,5-dione.
What is the SMILES notation for 3-methyl-3-phenyloxolane-2,5-dione?
The canonical SMILES for 3-methyl-3-phenyloxolane-2,5-dione is CC1(c2ccccc2)CC(=O)OC1=O.
What is the InChIKey of 3-methyl-3-phenyloxolane-2,5-dione?
The InChIKey is AEEWWNZSKBVUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-11(7-9(12)14-10(11)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-3-phenyloxolane-2,5-dione?
3-methyl-3-phenyloxolane-2,5-dione has a molecular weight of 190.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyloxolane-2,5-dione is sourced from PubChem (CID 4962834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).