(1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol

• ChemBase ID: 185705
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c12[nH]c3c(c1CCC[C@H]2O)cc(cc3)C
• Canonical SMILES: Cc1ccc2c(c1)c1CCC[C@H](c1[nH]2)O
• InChI: InChI=1S/C13H15NO/c1-8-5-6-11-10(7-8)9-3-2-4-12(15)13(9)14-11/h5-7,12,14-15H,2-4H2,1H3/t12-/m1/s1
• InChIKey: YYBPWZOWPCHCIR-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol
• IUPAC Traditional name: (1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol

Database IDs

• PubChem SID: 164241615
• PubChem CID: 741155

CALCULATED PROPERTIES

• Acid pKa: 14.260682
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.7268734
• LogD (pH = 7.4): 2.7268734
• Log P: 2.7268734
• Molar Refractivity: 61.0609 cm^3
• Polarizability: 24.514046 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds