2,3,4,9-tetrahydro-1H-carbazol-1-ol

• ChemBase ID: 120107
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c12[nH]c3c(c1CCCC2O)cccc3
• Canonical SMILES: OC1CCCc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C12H13NO/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,11,13-14H,3,5,7H2
• InChIKey: GXUZLXNKCOCTLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,9-tetrahydro-1H-carbazol-1-ol
• IUPAC Traditional name: 2,3,4,9-tetrahydro-1H-carbazol-1-ol
• Synonyms: 2,3,4,9-tetrahydro-1H-carbazol-1-ol

Database IDs

• PubChem SID: 162214460
• PubChem CID: 3696767

CALCULATED PROPERTIES

• Acid pKa: 14.246699
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.213452
• LogD (pH = 7.4): 2.213452
• Log P: 2.213452
• Molar Refractivity: 56.0197 cm^3
• Polarizability: 22.749533 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true