ethyl 2-(naphthalen-2-yl)acetate

• ChemBase ID: 269061
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: C(=O)(Cc1cc2c(cc1)cccc2)OCC
• Canonical SMILES: CCOC(=O)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H14O2/c1-2-16-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3
• InChIKey: PZNMRIQALHUBSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(naphthalen-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(naphthalen-2-yl)acetate
• Synonyms: ethyl 2-(naphthalen-2-yl)acetate

Database IDs

• MDL Number: MFCD00014323
• PubChem SID: 164324971
• PubChem CID: 256821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1031728
• LogD (pH = 7.4): 3.1031728
• Log P: 3.1031728
• Molar Refractivity: 63.3335 cm^3
• Polarizability: 26.013235 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.523

Product Information

• Purity: 95%