3-(4-methylnaphthalene-1-carbonyl)-1-propyl-1H-indole

• ChemBase ID: 127942
• Molecular Formular: C23H21NO
• Molecular Mass: 327.41894
• Monoisotopic Mass: 327.1623143
• SMILES: CCCn1cc(c2ccccc12)C(=O)c1ccc(c2ccccc12)C
• Canonical SMILES: CCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C
• InChI: InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3
• InChIKey: DUBUGSKBMMXSOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methylnaphthalene-1-carbonyl)-1-propyl-1H-indole
• IUPAC Traditional name: 3-(4-methylnaphthalene-1-carbonyl)-1-propylindole
• Synonyms: JWH-120

Database IDs

• CAS Number: 824955-98-8
• PubChem SID: 162222258
• PubChem CID: 11461586
• Wikipedia Title: JWH-120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.137265
• LogD (pH = 7.4): 6.137265
• Log P: 6.137265
• Molar Refractivity: 103.3807 cm^3
• Polarizability: 42.139454 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false