9-(1-ethoxy-2-methylpropyl)-9H-carbazole

• ChemBase ID: 203836
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: n1(c2c(c3c1cccc3)cccc2)C(C(C)C)OCC
• Canonical SMILES: CCOC(n1c2ccccc2c2c1cccc2)C(C)C
• InChI: InChI=1S/C18H21NO/c1-4-20-18(13(2)3)19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-13,18H,4H2,1-3H3
• InChIKey: OVZMBLYJVZYIPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(1-ethoxy-2-methylpropyl)-9H-carbazole
• IUPAC Traditional name: 9-(1-ethoxy-2-methylpropyl)carbazole

Database IDs

• PubChem SID: 164259746
• PubChem CID: 3260536

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0802245
• LogD (pH = 7.4): 5.0802245
• Log P: 5.0802245
• Molar Refractivity: 82.698 cm^3
• Polarizability: 34.972286 Å^3
• Polar Surface Area: 14.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds