1-(9H-carbazol-9-yl)-3-chloropropan-2-ol

• ChemBase ID: 79800
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: n1(c2c(cccc2)c2ccccc12)CC(O)CCl
• Canonical SMILES: ClCC(Cn1c2ccccc2c2c1cccc2)O
• InChI: InChI=1S/C15H14ClNO/c16-9-11(18)10-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)17/h1-8,11,18H,9-10H2
• InChIKey: SBVKUYWOXYQKGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-carbazol-9-yl)-3-chloropropan-2-ol
• IUPAC Traditional name: 1-(carbazol-9-yl)-3-chloropropan-2-ol
• Synonyms: 1-(9H-carbazol-9-yl)-3-chloropropan-2-ol

Database IDs

• MDL Number: MFCD00218282
• PubChem SID: 162044563
• PubChem CID: 2775474

CALCULATED PROPERTIES

• Acid pKa: 13.914964
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3487167
• LogD (pH = 7.4): 3.3487165
• Log P: 3.3487167
• Molar Refractivity: 73.6747 cm^3
• Polarizability: 30.97012 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true