(2-chlorophenyl)(naphthalen-1-yl)methanone

• ChemBase ID: 245886
• Molecular Formular: C17H11ClO
• Molecular Mass: 266.72164
• Monoisotopic Mass: 266.04984265
• SMILES: C(=O)(c1c2c(ccc1)cccc2)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1C(=O)c1cccc2c1cccc2
• InChI: InChI=1S/C17H11ClO/c18-16-11-4-3-9-15(16)17(19)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H
• InChIKey: WYBLTMAVWDQIEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(naphthalen-1-yl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(naphthalen-1-yl)methanone
• Synonyms: (2-chlorophenyl)(naphthalen-1-yl)methanone

Database IDs

• MDL Number: MFCD00181818
• PubChem SID: 164301796
• PubChem CID: 288134

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.02612
• LogD (pH = 7.4): 5.02612
• Log P: 5.02612
• Molar Refractivity: 77.8885 cm^3
• Polarizability: 31.426977 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.883

Product Information

• Purity: 95%