6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol

• ChemBase ID: 120108
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: c12[nH]c3c(c1CCCC2O)cc(cc3C)C
• Canonical SMILES: Cc1cc(C)c2c(c1)c1CCCC(c1[nH]2)O
• InChI: InChI=1S/C14H17NO/c1-8-6-9(2)13-11(7-8)10-4-3-5-12(16)14(10)15-13/h6-7,12,15-16H,3-5H2,1-2H3
• InChIKey: ZBUUFICNYNDRAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol
• IUPAC Traditional name: 6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol
• Synonyms: 6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol

Database IDs

• PubChem SID: 162214461
• PubChem CID: 51051831

CALCULATED PROPERTIES

• Acid pKa: 14.294119
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.240295
• LogD (pH = 7.4): 3.2402947
• Log P: 3.240295
• Molar Refractivity: 66.1021 cm^3
• Polarizability: 26.279934 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true