methyl 2-(naphthalen-2-yl)acetate

• ChemBase ID: 266570
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: C(=O)(Cc1cc2c(cc1)cccc2)OC
• Canonical SMILES: COC(=O)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H12O2/c1-15-13(14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
• InChIKey: BGYOCQOJCMPTCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09263745
• PubChem SID: 164322480
• PubChem CID: 5314037

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7463648
• LogD (pH = 7.4): 2.7463648
• Log P: 2.7463648
• Molar Refractivity: 58.5849 cm^3
• Polarizability: 24.166262 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.994

Product Information

• Purity: 95%