9-[1-(propan-2-yloxy)butyl]-9H-carbazole

• ChemBase ID: 203413
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: n1(c2c(c3c1cccc3)cccc2)C(OC(C)C)CCC
• Canonical SMILES: CCCC(n1c2ccccc2c2c1cccc2)OC(C)C
• InChI: InChI=1S/C19H23NO/c1-4-9-19(21-14(2)3)20-17-12-7-5-10-15(17)16-11-6-8-13-18(16)20/h5-8,10-14,19H,4,9H2,1-3H3
• InChIKey: QMRVIAODQKKQPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[1-(propan-2-yloxy)butyl]-9H-carbazole
• IUPAC Traditional name: 9-(1-isopropoxybutyl)carbazole

Database IDs

• PubChem SID: 164259323
• PubChem CID: 5180192

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4620447
• LogD (pH = 7.4): 5.4620447
• Log P: 5.4620447
• Molar Refractivity: 87.3014 cm^3
• Polarizability: 36.818184 Å^3
• Polar Surface Area: 14.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds