1-(chloromethyl)-2-(propan-2-yloxy)naphthalene

• ChemBase ID: 277341
• Molecular Formular: C14H15ClO
• Molecular Mass: 234.7213
• Monoisotopic Mass: 234.08114278
• SMILES: c1(c(OC(C)C)ccc2c1cccc2)CCl
• Canonical SMILES: ClCc1c(ccc2c1cccc2)OC(C)C
• InChI: InChI=1S/C14H15ClO/c1-10(2)16-14-8-7-11-5-3-4-6-12(11)13(14)9-15/h3-8,10H,9H2,1-2H3
• InChIKey: LYLFWGQHYZZPDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-2-(propan-2-yloxy)naphthalene
• IUPAC Traditional name: 1-(chloromethyl)-2-isopropoxynaphthalene
• Synonyms: 1-(chloromethyl)-2-(propan-2-yloxy)naphthalene

Database IDs

• MDL Number: MFCD12186126
• PubChem SID: 164333251
• PubChem CID: 43505672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1656766
• LogD (pH = 7.4): 4.1656766
• Log P: 4.1656766
• Molar Refractivity: 68.0057 cm^3
• Polarizability: 27.720053 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.635

Product Information

• Purity: 95%