1-[1-(2-cyclohexylethyl)-1H-indol-3-yl]-2-(2-methoxyphenyl)ethan-1-one

• ChemBase ID: 129241
• Molecular Formular: C25H29NO2
• Molecular Mass: 375.50326
• Monoisotopic Mass: 375.21982917
• SMILES: COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCC1CCCCC1
• Canonical SMILES: COc1ccccc1CC(=O)c1cn(c2c1cccc2)CCC1CCCCC1
• InChI: InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3
• InChIKey: BSQFBMXCQIKYNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-cyclohexylethyl)-1H-indol-3-yl]-2-(2-methoxyphenyl)ethan-1-one
• IUPAC Traditional name: rcs-8
• Synonyms: 1-[1-(2-Cyclohexylethyl)-1H-indol-3-yl]-2-(2-methoxyphenyl)ethanone; RCS-8

Database IDs

• CAS Number: 1345970-42-4
• PubChem SID: 162223535
• PubChem CID: 53394099
• Chemspider ID: 24751863
• Wikipedia Title: RCS-8

CALCULATED PROPERTIES

• Acid pKa: 13.449287
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.010898
• LogD (pH = 7.4): 6.0108976
• Log P: 6.010898
• Molar Refractivity: 114.0521 cm^3
• Polarizability: 45.37898 Å^3
• Polar Surface Area: 31.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - R129210

RCS-8 is a 3-substituted indole, a synthetic JWH cannabinoid analog that has been identified as a component of several different ‘herbal incense’ products.