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

• ChemBase ID: 185673
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: n1(c2c(c3c1ccc(c3)C)CCC[C@H]2O)C
• Canonical SMILES: Cc1ccc2c(c1)c1CCC[C@H](c1n2C)O
• InChI: InChI=1S/C14H17NO/c1-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15(12)2/h6-8,13,16H,3-5H2,1-2H3/t13-/m1/s1
• InChIKey: BBIZIYDTFMVGPV-CYBMUJFWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164241583
• PubChem CID: 741162

CALCULATED PROPERTIES

• Acid pKa: 14.246378
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9505496
• LogD (pH = 7.4): 2.9505494
• Log P: 2.9505496
• Molar Refractivity: 65.9576 cm^3
• Polarizability: 26.276255 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds