1-cyclohexylnaphthalene

• ChemBase ID: 165211
• Molecular Formular: C16H18
• Molecular Mass: 210.31412
• Monoisotopic Mass: 210.14085058
• SMILES: c12c(c(ccc1)C1CCCCC1)cccc2
• Canonical SMILES: C1CCC(CC1)c1cccc2c1cccc2
• InChI: InChI=1S/C16H18/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h4-6,9-13H,1-3,7-8H2
• InChIKey: RAYZALBEMJMGEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylnaphthalene
• IUPAC Traditional name: 1-cyclohexylnaphthalene
• Synonyms: 1-Cyclohexyl-naphthalene; NSC 131573; 1-Cyclohexylnaphthalene

Database IDs

• CAS Number: 3042-69-1
• PubChem SID: 162259344
• PubChem CID: 76440

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0777116
• LogD (pH = 7.4): 5.0777116
• Log P: 5.0777116
• Molar Refractivity: 68.6998 cm^3
• Polarizability: 28.281662 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Oil

DETAILS

Toronto Research Chemicals - C988055

An intermediate in the preparation of Vedaprofen