2-(2-methylpropoxy)naphthalene

• ChemBase ID: 109954
• Molecular Formular: C14H16O
• Molecular Mass: 200.27624
• Monoisotopic Mass: 200.12011513
• SMILES: CC(C)COc1ccc2ccccc2c1
• Canonical SMILES: CC(COc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C14H16O/c1-11(2)10-15-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3
• InChIKey: XOHIHZHSDMWWMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropoxy)naphthalene
• IUPAC Traditional name: 2-(2-methylpropoxy)naphthalene
• Synonyms: 2-(2-methylpropoxy)naphthalene; 2-isobutoxynaphthalene; 2-Naphthyl isobutyl ether; beta-Naphthol isobutyl ether; beta-Naphthyl isobutyl ether; ETHER, ISOBUTYL(2-NAPHTHYL); Fragarol; Isobutyl 2-naphthyl ether; Isobutyl beta-naphthyl ether; Naphthalene, 2-(2-methylpropoxy)-; Naphthalene, 2-isobutoxy-; Nerolin fragarol; FRAGAROLE; 2-Isobutoxynaphthalene

Database IDs

• CAS Number: 2173-57-1
• EC Number: 218-529-2
• MDL Number: MFCD00046467
• PubChem SID: 162096412
• PubChem CID: 16582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0493546
• LogD (pH = 7.4): 4.0493546
• Log P: 4.0493546
• Molar Refractivity: 62.7156 cm^3
• Polarizability: 26.00697 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05213165

MP Biomedicals Rare Chemical collection