2-(2,5-dimethoxyphenyl)oxirane

• ChemBase ID: 259389
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: O1C(c2c(ccc(c2)OC)OC)C1
• Canonical SMILES: COc1ccc(c(c1)C1CO1)OC
• InChI: InChI=1S/C10H12O3/c1-11-7-3-4-9(12-2)8(5-7)10-6-13-10/h3-5,10H,6H2,1-2H3
• InChIKey: LIDCSATVCNIHNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dimethoxyphenyl)oxirane
• IUPAC Traditional name: 2-(2,5-dimethoxyphenyl)oxirane
• Synonyms: 2-(2,5-dimethoxyphenyl)oxirane

Database IDs

• MDL Number: MFCD09733178
• PubChem SID: 164315299
• PubChem CID: 15933371

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4219222
• LogD (pH = 7.4): 1.4219222
• Log P: 1.4219222
• Molar Refractivity: 48.2527 cm^3
• Polarizability: 19.008741 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.294

Product Information

• Purity: 95%