9-(2,2-dimethoxyethyl)-9H-carbazole

• ChemBase ID: 191702
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: n1(c2c(c3c1cccc3)cccc2)CC(OC)OC
• Canonical SMILES: COC(Cn1c2ccccc2c2c1cccc2)OC
• InChI: InChI=1S/C16H17NO2/c1-18-16(19-2)11-17-14-9-5-3-7-12(14)13-8-4-6-10-15(13)17/h3-10,16H,11H2,1-2H3
• InChIKey: WVFXHCGRGJHEKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2,2-dimethoxyethyl)-9H-carbazole
• IUPAC Traditional name: 9-(2,2-dimethoxyethyl)carbazole

Database IDs

• PubChem SID: 164247612
• PubChem CID: 2227541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5464888
• LogD (pH = 7.4): 3.5464888
• Log P: 3.5464888
• Molar Refractivity: 75.1935 cm^3
• Polarizability: 31.80592 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds