9-{2-methoxy-2-[(1E)-prop-1-en-1-yloxy]ethyl}-9H-carbazole

• ChemBase ID: 190432
• Molecular Formular: C18H19NO2
• Molecular Mass: 281.34896
• Monoisotopic Mass: 281.14157885
• SMILES: n1(c2c(c3c1cccc3)cccc2)CC(O/C=C/C)OC
• Canonical SMILES: C/C=C/OC(Cn1c2ccccc2c2c1cccc2)OC
• InChI: InChI=1S/C18H19NO2/c1-3-12-21-18(20-2)13-19-16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h3-12,18H,13H2,1-2H3/b12-3+
• InChIKey: XKWHJYDCBYSFAX-KGVSQERTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{2-methoxy-2-[(1E)-prop-1-en-1-yloxy]ethyl}-9H-carbazole
• IUPAC Traditional name: 9-{2-methoxy-2-[(1E)-prop-1-en-1-yloxy]ethyl}carbazole

Database IDs

• PubChem SID: 164246342
• PubChem CID: 5774442

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.437798
• LogD (pH = 7.4): 4.437798
• Log P: 4.437798
• Molar Refractivity: 84.5592 cm^3
• Polarizability: 35.271465 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 5

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds