5-(2,5-dimethylphenyl)oxolan-2-one

C12H14O2 — CID 11805522

IUPAC5-(2,5-dimethylphenyl)oxolan-2-one
SMILESCc1ccc(C)c(C2CCC(=O)O2)c1
InChIInChI=1S/C12H14O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(13)14-11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyJISKXRNPMHESIF-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.68
Rot. Bonds1

About 5-(2,5-dimethylphenyl)oxolan-2-one

5-(2,5-dimethylphenyl)oxolan-2-one (PubChem CID 11805522) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)oxolan-2-one
PubChem CID11805522
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-(2,5-dimethylphenyl)oxolan-2-one
SMILESCc1ccc(C)c(C2CCC(=O)O2)c1
InChIInChI=1S/C12H14O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(13)14-11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyJISKXRNPMHESIF-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,5-dimethylphenyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)oxolan-2-one?
The IUPAC name of 5-(2,5-dimethylphenyl)oxolan-2-one (CID 11805522) is 5-(2,5-dimethylphenyl)oxolan-2-one.
What is the SMILES notation for 5-(2,5-dimethylphenyl)oxolan-2-one?
The canonical SMILES for 5-(2,5-dimethylphenyl)oxolan-2-one is Cc1ccc(C)c(C2CCC(=O)O2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)oxolan-2-one?
The InChIKey is JISKXRNPMHESIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(13)14-11/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 5-(2,5-dimethylphenyl)oxolan-2-one?
5-(2,5-dimethylphenyl)oxolan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)oxolan-2-one is sourced from PubChem (CID 11805522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).