1-(ethenyloxy)-3-methylbenzene

• ChemBase ID: 286431
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: C(=C)Oc1cc(ccc1)C
• Canonical SMILES: C=COc1cccc(c1)C
• InChI: InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
• InChIKey: ZBUCIAUZAGKZOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(ethenyloxy)-3-methylbenzene
• IUPAC Traditional name: 1-(ethenyloxy)-3-methylbenzene
• Synonyms: 1-(ethenyloxy)-3-methylbenzene

Database IDs

• MDL Number: MFCD21602807
• PubChem SID: 180671962
• PubChem CID: 12336202

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8336704
• LogD (pH = 7.4): 2.8336704
• Log P: 2.8336704
• Molar Refractivity: 41.2546 cm^3
• Polarizability: 16.234655 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.375

Product Information

• Purity: 95%