2-(benzyloxy)-4-(chloromethyl)-1-methylbenzene

• ChemBase ID: 89305
• Molecular Formular: C15H15ClO
• Molecular Mass: 246.732
• Monoisotopic Mass: 246.08114278
• SMILES: ClCc1cc(c(cc1)C)OCc1ccccc1
• Canonical SMILES: ClCc1ccc(c(c1)OCc1ccccc1)C
• InChI: InChI=1S/C15H15ClO/c1-12-7-8-14(10-16)9-15(12)17-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3
• InChIKey: RPZJKCRZVMZBLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-(chloromethyl)-1-methylbenzene
• IUPAC Traditional name: 2-(benzyloxy)-4-(chloromethyl)-1-methylbenzene
• Synonyms: 4-Methyl-3-benzyloxybenzyl chloride

Database IDs

• MDL Number: MFCD07783029
• PubChem SID: 162076186
• PubChem CID: 26966854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6407113
• LogD (pH = 7.4): 4.6407113
• Log P: 4.6407113
• Molar Refractivity: 72.0419 cm^3
• Polarizability: 27.861216 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true