7-(benzyloxy)naphthalen-2-ol

• ChemBase ID: 41135
• Molecular Formular: C17H14O2
• Molecular Mass: 250.29186
• Monoisotopic Mass: 250.09937969
• SMILES: c12cc(OCc3ccccc3)ccc1ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)cc(cc2)OCc1ccccc1
• InChI: InChI=1S/C17H14O2/c18-16-8-6-14-7-9-17(11-15(14)10-16)19-12-13-4-2-1-3-5-13/h1-11,18H,12H2
• InChIKey: UNBCQJKOYUSQAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)naphthalen-2-ol
• IUPAC Traditional name: 7-(benzyloxy)naphthalen-2-ol
• Synonyms: 7-(Benzyloxy)-2-naphthol

Database IDs

• CAS Number: 118495-07-1
• MDL Number: MFCD03425751
• PubChem SID: 162045898
• PubChem CID: 2763818

CALCULATED PROPERTIES

• Acid pKa: 9.769839
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.225936
• LogD (pH = 7.4): 4.224121
• Log P: 4.2259593
• Molar Refractivity: 75.5649 cm^3
• Polarizability: 30.632034 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 152 °C; 151-152°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%