2-(4-methoxy-2,5-dimethylphenyl)oxirane

C11H14O2 — CID 82074963

IUPAC2-(4-methoxy-2,5-dimethylphenyl)oxirane
SMILESCOc1cc(C)c(C2CO2)cc1C
InChIInChI=1S/C11H14O2/c1-7-5-10(12-3)8(2)4-9(7)11-6-13-11/h4-5,11H,6H2,1-3H3
InChIKeyADODWRHTBSPHEG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds2

About 2-(4-methoxy-2,5-dimethylphenyl)oxirane

2-(4-methoxy-2,5-dimethylphenyl)oxirane (PubChem CID 82074963) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)oxirane.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)oxirane
PubChem CID82074963
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)oxirane
SMILESCOc1cc(C)c(C2CO2)cc1C
InChIInChI=1S/C11H14O2/c1-7-5-10(12-3)8(2)4-9(7)11-6-13-11/h4-5,11H,6H2,1-3H3
InChIKeyADODWRHTBSPHEG-UHFFFAOYSA-N
XLogP2.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(4-methoxy-2,5-dimethylphenyl)oxirane 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 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)oxirane (CID 82074963) is 2-(4-methoxy-2,5-dimethylphenyl)oxirane.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)oxirane is COc1cc(C)c(C2CO2)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
The InChIKey is ADODWRHTBSPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-5-10(12-3)8(2)4-9(7)11-6-13-11/h4-5,11H,6H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)oxirane?
2-(4-methoxy-2,5-dimethylphenyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)oxirane is sourced from PubChem (CID 82074963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).