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

• ChemBase ID: 124622
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: c12[nH]c3c(c1CCCC2O)cc(cc3)CC
• Canonical SMILES: CCc1ccc2c(c1)c1CCCC(c1[nH]2)O
• InChI: InChI=1S/C14H17NO/c1-2-9-6-7-12-11(8-9)10-4-3-5-13(16)14(10)15-12/h6-8,13,15-16H,2-5H2,1H3
• InChIKey: PODLQCGQTZRDKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218975
• PubChem CID: 51052031

CALCULATED PROPERTIES

• Acid pKa: 14.259482
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.171442
• LogD (pH = 7.4): 3.171442
• Log P: 3.171442
• Molar Refractivity: 65.6619 cm^3
• Polarizability: 26.360243 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true