1-(chloromethyl)-4-phenoxybenzene

• ChemBase ID: 289234
• Molecular Formular: C13H11ClO
• Molecular Mass: 218.67884
• Monoisotopic Mass: 218.04984265
• SMILES: ClCc1ccc(Oc2ccccc2)cc1
• Canonical SMILES: ClCc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C13H11ClO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2
• InChIKey: IATNZRYVIRYKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-4-phenoxybenzene
• IUPAC Traditional name: 1-(chloromethyl)-4-phenoxybenzene
• Synonyms: 1-(Chloromethyl)-4-phenoxybenzene

Database IDs

• CAS Number: 4039-92-3
• MDL Number: MFCD11184365
• PubChem SID: 180674765
• PubChem CID: 520994

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0607753
• LogD (pH = 7.4): 4.0607753
• Log P: 4.0607753
• Molar Refractivity: 62.1657 cm^3
• Polarizability: 24.312231 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%