1-[(1E)-cyclopropylidenemethyl]-4-methoxybenzene

• ChemBase ID: 276690
• Molecular Formular: C11H12O
• Molecular Mass: 160.21238
• Monoisotopic Mass: 160.088815
• SMILES: C1(=Cc2ccc(cc2)OC)CC1
• Canonical SMILES: COc1ccc(cc1)C=C1CC1
• InChI: InChI=1S/C11H12O/c1-12-11-6-4-10(5-7-11)8-9-2-3-9/h4-8H,2-3H2,1H3
• InChIKey: CSTHEJHWGOBADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1E)-cyclopropylidenemethyl]-4-methoxybenzene
• IUPAC Traditional name: 1-[(1E)-cyclopropylidenemethyl]-4-methoxybenzene
• Synonyms: 1-(cyclopropylidenemethyl)-4-methoxybenzene

Database IDs

• MDL Number: MFCD19382272
• PubChem SID: 164332600
• PubChem CID: 10986543

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7185469
• LogD (pH = 7.4): 2.7185469
• Log P: 2.7185469
• Molar Refractivity: 50.3608 cm^3
• Polarizability: 19.343706 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.229

Product Information

• Purity: 95%