(2-methoxyethyl)benzene

• ChemBase ID: 251313
• Molecular Formular: C9H12O
• Molecular Mass: 136.19098
• Monoisotopic Mass: 136.088815
• SMILES: c1(CCOC)ccccc1
• Canonical SMILES: COCCc1ccccc1
• InChI: InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
• InChIKey: CQLYXIUHVFRXLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)benzene
• IUPAC Traditional name: benzene, (2-methoxyethyl)-
• Synonyms: (2-methoxyethyl)benzene

Database IDs

• CAS Number: 3558-60-9
• MDL Number: MFCD00025912
• PubChem SID: 164307223
• PubChem CID: 19089

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1376839
• LogD (pH = 7.4): 2.1376839
• Log P: 2.1376839
• Molar Refractivity: 42.3801 cm^3
• Polarizability: 16.486042 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.909

Product Information

• Purity: 95%; 95+%