2-(benzyloxy)naphthalene

• ChemBase ID: 295742
• Molecular Formular: C17H14O
• Molecular Mass: 234.29246
• Monoisotopic Mass: 234.10446507
• SMILES: c1ccc(cc1)COc1ccc2ccccc2c1
• Canonical SMILES: c1ccc(cc1)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C17H14O/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
• InChIKey: WLTCCDHHWYAMCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)naphthalene
• IUPAC Traditional name: 2-(benzyloxy)naphthalene
• Synonyms: 2-Benzyloxynaphthalene; Benzyl 2-naphthyl ether; 2-(phenylmethoxy)-Naphthalene; 苄基-2-萘醚

Database IDs

• CAS Number: 613-62-7
• EC Number: 405-490-3
• MDL Number: MFCD00089092
• Beilstein Number: 2049922
• PubChem SID: 180681273
• PubChem CID: 123080

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5295243
• LogD (pH = 7.4): 4.5295243
• Log P: 4.5295243
• Molar Refractivity: 73.584 cm^3
• Polarizability: 30.112465 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-98°C

Safety Information

• Risk Statements: 53
• Safety Statements: 61
• TSCA Listed: 否
• GHS Hazard statements: H413
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: 97%; 99%