9-(1-methoxypropyl)-9H-carbazole

• ChemBase ID: 203349
• Molecular Formular: C16H17NO
• Molecular Mass: 239.31228
• Monoisotopic Mass: 239.13101417
• SMILES: n1(c2c(c3c1cccc3)cccc2)C(OC)CC
• Canonical SMILES: CCC(n1c2ccccc2c2c1cccc2)OC
• InChI: InChI=1S/C16H17NO/c1-3-16(18-2)17-14-10-6-4-8-12(14)13-9-5-7-11-15(13)17/h4-11,16H,3H2,1-2H3
• InChIKey: HIYAISWQVRVOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(1-methoxypropyl)-9H-carbazole
• IUPAC Traditional name: 9-(1-methoxypropyl)carbazole

Database IDs

• PubChem SID: 164259259
• PubChem CID: 3751597

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2440934
• LogD (pH = 7.4): 4.2440934
• Log P: 4.2440934
• Molar Refractivity: 73.533 cm^3
• Polarizability: 31.280935 Å^3
• Polar Surface Area: 14.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds