3-(4-methoxybenzoyl)-1-pentyl-1H-indole

• ChemBase ID: 129240
• Molecular Formular: C21H23NO2
• Molecular Mass: 321.41282
• Monoisotopic Mass: 321.17287898
• SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC
• Canonical SMILES: CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC
• InChI: InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3
• InChIKey: OZCYJKDWRUIFFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxybenzoyl)-1-pentyl-1H-indole
• IUPAC Traditional name: rcs-4
• Synonyms: RCS-4; (4-Methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone

Database IDs

• CAS Number: 1345966-78-0
• PubChem SID: 162223534
• PubChem CID: 56841530
• Chemspider ID: 24769418
• Wikipedia Title: RCS-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3658333
• LogD (pH = 7.4): 5.3658333
• Log P: 5.3658333
• Molar Refractivity: 97.5545 cm^3
• Polarizability: 38.9024 Å^3
• Polar Surface Area: 31.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Legal Status: Illegal in Sweden, I-N (Poland)

DETAILS

Toronto Research Chemicals - R129200

RCS-4 is a synthetic JWH 018 cannabinoid analog that has been identified as a component of several different ‘herbal incense’ products. The biological activity of RCS-4 has not been reported.