9-(1-methoxybutyl)-9H-carbazole

• ChemBase ID: 203449
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: n1(c2c(c3c1cccc3)cccc2)C(OC)CCC
• Canonical SMILES: CCCC(n1c2ccccc2c2c1cccc2)OC
• InChI: InChI=1S/C17H19NO/c1-3-8-17(19-2)18-15-11-6-4-9-13(15)14-10-5-7-12-16(14)18/h4-7,9-12,17H,3,8H2,1-2H3
• InChIKey: LAOKWWGTXXWFAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164259359
• PubChem CID: 5132880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.688662
• LogD (pH = 7.4): 4.688662
• Log P: 4.688662
• Molar Refractivity: 78.134 cm^3
• Polarizability: 33.126534 Å^3
• Polar Surface Area: 14.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds